% This file was created with JabRef 2.3.1. % Encoding: ISO8859_1 @ARTICLE{BadriSOL03, author = {S. Abolmaali and C. Ostermann and A. Zell}, title = {The Compressed Feature Matrix - a Novel Descriptor for Adaptive Similarity Search}, journal = {J. Mol. Model.}, year = {2003}, volume = {9}, pages = {66 - 75} } @ARTICLE{adryan04, author = {B. Adryan and R. Schuh}, title = {{G}ene {O}ntology-based clustering of gene expression data}, journal = {To appear in {B}ioinformatics}, year = {2004} } @ARTICLE{Agrafiotis2003MolSim, author = {D. Agrafiotis and H. Xu}, title = {{A Geodisc Framework for Analyzing Molecular Similarities}}, journal = {J. Chem. Inf. Comp. Sci.}, year = {2003}, volume = {43}, pages = {475 - 484}, owner = {holger}, timestamp = {2006.10.15} } @ARTICLE{AhoTransRed1972, author = {A. Aho and M. Garey and J. Ullman}, title = {The Transitive Reduction of a Directed Graph}, journal = {SIAM Journal on Computing}, year = {1972}, volume = {1}, pages = {131 - 137}, number = {2}, owner = {froehlih}, timestamp = {2007.04.16} } @ARTICLE{AizKernelTrick64, author = {M. Aizerman and E. Braverman and L. Rozonoer}, title = {Theoretical foundations of the potential function method in pattern recognition learning}, journal = {Automation and Remote Control}, year = {1964}, volume = {25}, pages = {821 - 837} } @CONFERENCE{akahoKCCA01, author = {S. Akaho}, title = {A kernel method for canonical correlation analysis}, booktitle = {Proc. Int. Meeting Psychometric Society}, year = {2001} } @ARTICLE{Alexa2006topGO, author = {Adrian Alexa and J\"org Rahnenf�hrer and Thomas Lengauer}, title = {{Improved scoring of functional groups from gene expression data by decorrelating GO graph structure}}, journal = {Bioinformatics}, year = {2006}, volume = {22}, pages = {1600 - 1607}, number = {13}, owner = {froehlih}, timestamp = {2007.12.04} } @ARTICLE{Lymphoma2000, author = {ASH A. ALIZADEH and MICHAEL B. EISEN and R. ERIC DAVIS and CHI M and, IZIDORE S. LOSSOS and ANDREAS ROSENWALD and JENNIFER C. BOLDRICK and HAJEER SABET and TRUC TRAN and XIN YU and JOHN I. POWELL and LIMING YANG and GERALD E. MARTI and TROY MOORE and JAMES HUDSON JR and LISHENG LU and DAVID B. LEWIS and ROBERT TIBSHIRANI and GAVIN SHERLOCK and WING C. CHAN and TIMOTHY C. GREINER and DENNIS D. WEISENBURGER and JAMES O. ARMITAGE and ROGER WARNKE and RONALD LEVY and WYNDHAM WILSON and MICHAEL R. GREVER and JOHN C. BYRD and DAVID BOTSTEIN and PATRICK O. BROWN and LOUIS M. STAUDT}, title = {Distinct types of diffuse large B-cell lymphoma identified by gene expression profiling}, journal = {Nature}, year = {2000}, volume = {403}, pages = {503 - 511} } @ARTICLE{AloBar99, author = {U. Alon and N. Barkai and D. Notterman and K. Gish and S. Ybarra and D. Mack and A. Levine}, title = {Broad patterns of gene expression revealed by clustering analysis of tumor and normal colon cancer tissues probed by oligonucleotide arrays}, journal = {Cell Biology}, year = {1999}, volume = {96}, pages = {6745 - 6750} } @ARTICLE{Alroy1997, author = {I. Alroy and Y. Yarden}, title = {The ErbB signaling network in embryogenesis and oncogenesis: signal diversification through combinatorial ligand-receptor interactions.}, journal = {FEBS Lett}, year = {1997}, volume = {410}, pages = {83--86}, number = {1}, month = {Jun}, abstract = {Ligand-induced activation of receptor tyrosine kinases (RTK) results in the initiation of diverse cellular pathways, including proliferation, differentiation and cell migration. The ErbB family of RTKs represents a model for signal diversification through the formation of homo- and heterodimeric receptor complexes. Each dimeric receptor complex will initiate a distinct signaling pathway by recruiting a different set of Src homology 2- (SH2-) containing effector proteins. Further complexity is added due to the existence of an oncogenic receptor that enhances and stabilizes dimerization but has no ligand (ErbB-2), and a receptor that can recruit novel SH-2-containing proteins, but is itself devoid of kinase activity (ErbB-3). The resulting signaling network has important implications for embryonic development and malignant transformation.}, keywords = {Animals; Cell Transformation, Neoplastic; Embryonic and Fetal Development; Epidermal Growth Factor; Humans; Ligands; Proto-Oncogene Proteins; Receptor, Epidermal Growth Factor; Receptor, erbB-2; Receptor, erbB-3; Signal Transduction}, owner = {froehlih}, pii = {S0014-5793(97)00412-2}, pmid = {9247128}, timestamp = {2008.10.23} } @ARTICLE{Anchang2009, author = {Benedict Anchang and Mohammad J Sadeh and Juby Jacob and Achim Tresch and Marcel O Vlad and Peter J Oefner and Rainer Spang}, title = {Modeling the temporal interplay of molecular signaling and gene expression by using dynamic nested effects models.}, journal = {Proc Natl Acad Sci U S A}, year = {2009}, volume = {106}, pages = {6447--6452}, number = {16}, month = {Apr}, abstract = {Cellular decision making in differentiation, proliferation, or cell death is mediated by molecular signaling processes, which control the regulation and expression of genes. Vice versa, the expression of genes can trigger the activity of signaling pathways. We introduce and describe a statistical method called Dynamic Nested Effects Model (D-NEM) for analyzing the temporal interplay of cell signaling and gene expression. D-NEMs are Bayesian models of signal propagation in a network. They decompose observed time delays of multiple step signaling processes into single steps. Time delays are assumed to be exponentially distributed. Rate constants of signal propagation are model parameters, whose joint posterior distribution is assessed via Gibbs sampling. They hold information on the interplay of different forms of biological signal propagation. Molecular signaling in the cytoplasm acts at high rates, direct signal propagation via transcription and translation act at intermediate rates, while secondary effects operate at low rates. D-NEMs allow the dissection of biological processes into signaling and expression events, and analysis of cellular signal flow. An application of D-NEMs to embryonic stem cell development in mice reveals a feed-forward loop dominated network, which stabilizes the differentiated state of cells and points to Nanog as the key sensitizer of stem cells for differentiation stimuli.}, doi = {10.1073/pnas.0809822106}, institution = {Institute of Functional Genomics, University of Regensburg, Josef-Engert-Strasse 9, 93053 Regensburg, Germany.}, keywords = {Algorithms; Animals; Gene Expression Regulation; Mice; Models, Genetic; Signal Transduction; Stem Cells; Time Factors}, owner = {frohlich}, pii = {0809822106}, pmid = {19329492}, timestamp = {2012.01.30}, url = {http://dx.doi.org/10.1073/pnas.0809822106} } @ARTICLE{AroRKHS50, author = {N. Aronszajn}, title = {Theory of reproducing kernels}, journal = {Trans. Am. Math. Soc.}, year = {1950}, volume = {68}, pages = {337 - 404} } @INCOLLECTION{Waterbeemd03Book, author = {P. Artursson and C. Bergstr\"om}, title = {Intestinal Absorption: The Role of Polar Surface Area}, booktitle = {Drug Bioavailability}, publisher = {Wiley-VCH}, year = {2003}, editor = {H. van de Waterbeemd and H. Lennern\"as and P. Artursson}, pages = {341 - 357}, address = {Weinheim} } @BOOK{BoeSchnBook00, title = {Virtual Screening for Bioactive Molecules}, publisher = {Wiley-VCH}, year = {2000}, author = {H.-J. B\"ohm and G. Schneider}, address = {Weinheim} } @ARTICLE{BoehmKlebeHydro02, author = {M. B\"ohm and G. Klebe}, title = {Development of a New Hydrogen-Bond Descriptor and Their Application to Comparative Mean Field Analysis}, journal = {J. Med. Chem.}, year = {2002}, volume = {45}, pages = {1585 - 1597} } @ARTICLE{KlebeDescs02, author = {M. B\"ohm and G. Klebe}, title = {{D}evelopment of {N}ew {H}ydrogen--{B}ond {D}escriptors and {T}heir {A}pplication to {C}omparative {M}olecular {F}ield {A}nalyses}, journal = {J. Med. Chem.}, year = {2002}, volume = {45}, pages = {1585--1597}, abstract = {Knowledge-based descriptors extracted from composite crystal-field environments in crystal data have been developed for the description of interaction properties of small molecules. Using SuperStar seven diverse probe atoms have been selected to reflect the most important physicochemical properties. The general application of these descriptors in comparative molecular field analysis has been investigated using a dataset of thermolysin inhibitors, and a comparison to the GRID program has been performed. We especially focused on hydrogen-bond donor and acceptor properties by selecting a carbonyl and amino group as suitable probes. Their performance has been compared to that of the hydrogen-bond descriptors presently implemented in CoMSIA (comparative molecular similarity indices analysis). The newly developed descriptors produced significantly improved statistics for the correlation analyses if they are exclusively applied or, even better, applied in c ombination with other CoMSIA descriptors. Two methodologically different approaches have been tested to approximate the developed descriptors. Both reduce significantly the required computational efforts in particular for large data sets. The graphical interpretation of the field contributions of hydrogen-bonding properties elucidates additional features compared to those obtained from the original CoMSIA method. They are of valuable support for the design of improved inhibitors.}, groupsearch = {0} } @ARTICLE{bachKCCAandKICA02, author = {F. Bach and M. Jordan}, title = {Kernel independent component analysis}, journal = {J. Machine Learning Research}, year = {2002}, volume = {3}, pages = {1 - 48} } @ARTICLE{BalonHIA99, author = {K. Balon and B. Riebesehl and B. M\"uller}, title = {Drug Liposome Partitioning as a Tool for the Prediction of Human Passive Intestinal Absorption}, journal = {Pharm. Res.}, year = {1999}, volume = {16}, pages = {882 - 888} } @ARTICLE{BarthHerz2006, author = {Andreas S. Barth and and Ruprecht Kuner and Andreas Buness and Markus Ruschhaupt and Sylvia Merk and Ludwig Zwermann and Stefan K\"a\"ab and Eckart Kreuzer and Gerhard Steinbeck and Ulrich Mansmann and Annemarie Poustka and Michael Nabauer and Holger S\"ultmann}, title = {Identification of a Common Gene Expression Signature in Dilated Cardiomyopathy Across Independent Microarray Studies}, journal = {Journal of the American College of Cardiology}, year = {2006}, volume = {48}, pages = {1610 - 1617}, number = {8}, owner = {froehlih}, timestamp = {2006.10.30} } @INCOLLECTION{BartlettTaylorSVMBound99, author = {P. Bartlett and J. Shawe-Taylor}, title = {Generalization performance of support vector machines and other pattern classifiers}, booktitle = {Advances in Kernel Methods - Support Vector Learning}, publisher = {MIT Press}, year = {1999}, editor = {B. Sch\"olkopf and C. Burges and A. Smola}, pages = {43 - 54}, address = {Cambridge, MA} } @ARTICLE{BattitiMIFS94, author = {R. Battiti}, title = {Using Mutual Information For Selecting Features in Supervised Neural Net Learning}, journal = {IEEE Trans. Neural Networks}, year = {1994}, volume = {5}, pages = {537 - 550}, number = {4} } @ARTICLE{BaumWelch70HMMAlgo, author = {L. E. Baum and T. Peterie and G. Souled and N. Weiss}, title = {{A maximization technique occurring in the statistical analysis of probabilistic functions of Markov chains}}, journal = {Ann. Math. Statist.}, year = {1970}, volume = {41}, pages = {164 - 171}, number = {1} } @ARTICLE{beissbarth04, author = {T. Beissbarth and T. Speed}, title = {{GO}stat: finding statistically overexpressed {G}ene {O}ntologies within groups of genes}, journal = {Bioinformatics}, year = {2004}, volume = {20}, pages = {1464-1465}, number = {9}, doi = {10.1093/bioinformatics/bth088} } @ARTICLE{Belisle1992SimAnn, author = {Belisle, C. J. P.}, title = {Convergence theorems for a class of simulated annealing algorithms}, journal = {J. Applied Probability}, year = {1992}, volume = {29}, pages = {885 - 895}, owner = {froehlih}, timestamp = {2006.11.28} } @TECHREPORT{BelkinSemisup04, author = {M. Belkin and P. Niyogi and V. Sindhwani}, title = {Manifold Regularization: A Geometric Framework for Learning from Examples}, institution = {Dept. of Computer Science, University of Chicago}, year = {2004}, number = {TR-2003-06} } @ARTICLE{Belozertseva2006FST, author = {Belozertseva, I.V. and Kos, T. and Popik, P. and Danysz, W. and Bespalov, A.Y.}, title = {Antidepressant-like effects of mGluR1 and mGlu5 antagonists in the rat forced swim and the mouse tail suspension test}, journal = {Eur. Neuropsychopharmacol.}, year = {2006}, note = {Epub ahead of print.}, owner = {froehlih}, timestamp = {2006.07.13} } @ARTICLE{BenHur05ProtProtInteraction, author = {A. Ben-Hur and W. Noble}, title = {{Kernel Methods for Predicting Protein-Protein Interactions}}, journal = {Bioinformatics}, year = {2005}, volume = {21}, pages = {i38 - i46}, number = {1} } @ARTICLE{BenderMolSim04, author = {A. Bender and R. Glen}, title = {Molecular similarity: a key technique in molecular informatics}, journal = {Org. Biomol. Chem.}, year = {2004}, volume = {2}, pages = {3204 - 3218} } @ARTICLE{Benjamini1995FDRControl, author = {Benjamini, Y. and Hochberg, Y.}, title = {{Controlling the False Discovery Rate: A Practical and Powerful Approach to Multiple Testing}}, journal = {J. Royal Statist. Soc., Series B}, year = {1995}, volume = {57}, pages = {289 - 300}, owner = {froehlih}, timestamp = {2006.11.28} } @ARTICLE{Benjamini2001BY, author = {{Benjamini, Y. and Yekutieli, D.}}, title = {{The control of the false discovery rate in multiple testing under dependency}}, journal = {Annals of Statistics}, year = {2001}, volume = {29}, pages = {1165 - 1188}, owner = {froehlih}, timestamp = {2008.04.08} } @BOOK{Berg2004MCMC, title = {Markov Chain Monte Carlo Simulations and Their Statistical Analysis}, publisher = {World Scientific}, year = {2004}, author = {B. Berg}, owner = {froehlih}, timestamp = {2006.11.28} } @ARTICLE{beyer95, author = {Beyer, H.G.}, title = {Toward a Theory of Evolution Strategies: On the Benefits of Sex - the $\mu/\mu,\lambda$ Theory}, journal = {Evolutionary Computation}, year = {1995}, volume = {1}, pages = {81-111}, groupsearch = {0}, keywords = {evolutionary algorithms} } @BOOK{BishopNN95, title = {Neural Networks for Pattern Recognition}, publisher = {Clarendon Press}, year = {1995}, author = {C. Bishop}, address = {Oxford} } @ARTICLE{BluLan97, author = {A. L. Blum and P. Langley}, title = {{Selection of Relevant Features and Examples in Machine Learning}}, journal = {Artificial Intelligence}, year = {1997}, volume = {97}, pages = {245 - 271}, number = {12} } @ARTICLE{Bolstad2003QuantNorm, author = {Bolstad, B. M. and Irizarry R. A. and Astrand, M. and Speed, T. P.}, title = {A comparison of normalization methods for high density oligonucleotide array data based on bias and variance.}, journal = {Bioinformatics}, year = {2003}, volume = {19}, pages = {185-193}, owner = {froehlih}, timestamp = {2006.11.30} } @CONFERENCE{BonWei94, author = {B. Bonnlander and A. Weigend}, title = {Selecting input variables using mutual information and nonparametric density estimation}, booktitle = {Proc. 1994 Int. Symp. on Artificial Neural Networks}, year = {1994}, pages = {42 - 50} } @ARTICLE{Borsini1995FST, author = {Borsini, F.}, title = {Role of the serotonergic system in the forced swimming test}, journal = {Neurosci. Biobehav. Rev.}, year = {1995}, volume = {19}, pages = {37-46}, owner = {froehlih}, timestamp = {2006.07.13} } @ARTICLE{Borsini1988FST, author = {Borsini, F. and Meli, A.}, title = {Is the forced swimming test a suitable model for revealing antidepressant activity?}, journal = {Psychopharmacology (Berl).}, year = {1988}, volume = {94}, pages = {147-160}, number = {2}, owner = {froehlih}, timestamp = {2006.07.14} } @CONFERENCE{BoserSVM92, author = {B. Boser and M. Guyon and V. Vapnik}, title = {A training algorithm for optimal margin classifiers}, booktitle = {Proc. 5th Ann. ACM Workshop on Comp. Learning Theory}, year = {1992}, editor = {D. Haussler}, address = {Pittsburgh, PA}, publisher = {ACM Press} } @ARTICLE{Boutros2002Data, author = {M. Boutros and H. Agaisse and N. Perrimon}, title = {Sequential activation of signaling pathways during innate immune responses in \emph{Drosophila}}, journal = {Developmental Cell}, year = {2002}, volume = {3}, pages = {711 - 722}, number = {5}, owner = {froehlih}, timestamp = {2006.11.28} } @ARTICLE{BradAUC97, author = {P. Bradley}, title = {{The use of the are under the ROC curve in the evaluation of machine learning algorithms}}, journal = {Pattern Recognition}, year = {1997}, volume = {30}, pages = {1145 - 1159} } @CONFERENCE{BradleyFeatSelSVM98, author = {P. Bradley and O. Mangasarian}, title = {Feature Selection via Concave Minimization and Support Vector Machines}, booktitle = {Proc. 13th Int. Conf. Machine Learning}, year = {1998}, pages = {82 - 90} } @ARTICLE{BreimanRandomForests2001, author = {L. Breiman}, title = {Random Forests}, journal = {Machine Learning}, year = {2001}, volume = {45}, pages = {5 - 32}, number = {1}, owner = {froehlih}, timestamp = {2006.10.26} } @BOOK{BreimanCART84, title = {Classification and Regression Trees}, publisher = {Wadsworth and Brooks}, year = {1984}, author = {L. Breiman and J. Friedman and R. Olshen and C. Stone} } @INCOLLECTION{budanitsky04, author = {A. Budanitsky and G. Hirst}, title = {Semantic distance in {W}ord{N}et: {A}n experimental, application-oriented evaluation of five measures.}, booktitle = {Workshop on {W}ord{N}et and other Lexical Resources, Second meeting of the {N}ord {A}merican Chapter of the Association for Computational Linguistics}, year = {2001}, address = {Pittsburgh} } @ARTICLE{Butt2005, author = {Alison J Butt and Catriona M McNeil and Elizabeth A Musgrove and Robert L Sutherland}, title = {Downstream targets of growth factor and oestrogen signalling and endocrine resistance: the potential roles of c-Myc, cyclin D1 and cyclin E.}, journal = {Endocr Relat Cancer}, year = {2005}, volume = {12 Suppl 1}, pages = {S47--S59}, month = {Jul}, abstract = {Antioestrogen therapy is a highly effective treatment for patients with oestrogen-receptor (ER)-positive breast cancer, emphasising the central role of oestrogen action in the development and progression of this disease. However, effective antioestrogen treatment is often compromised by acquired endocrine resistance, prompting the need for a greater understanding of the down-stream mediators of oestrogen action that may contribute to this effect. Recent studies have demonstrated a critical link between oestrogen's mitogenic effects and cell cycle progression, particularly at the G1 to S transition where key effectors of oestrogen action are c-Myc and cyclin D1, which converge on the activation of cyclin E-cdk2. These components are rapidly upregulated in response to oestrogen, and can mimic its actions on cell cycle progression, including re-initiating cell proliferation in antioestrogen-arrested cells. Here we review the roles of c-Myc, cyclin D1 and cyclin E in oestrogen action and endocrine resistance, and identify their potential as markers of disease progression and endocrine responsiveness, and as novel therapeutic targets in endocrine-resistant breast cancer.}, doi = {10.1677/erc.1.00993}, keywords = {Breast Neoplasms; Cyclin D1; Cyclin E; Drug Resistance, Neoplasm; Estrogen Antagonists; Estrogens; Female; Growth Substances; Humans; Proto-Oncogene Proteins c-myc; Receptors, Estrogen; Signal Transduction}, owner = {froehlih}, pii = {12/Supplement_1/S47}, pmid = {16113099}, timestamp = {2008.10.23}, url = {http://dx.doi.org/10.1677/erc.1.00993} } @ARTICLE{Schneider03, author = {E. Byvatov and U. Fechner and J. Sadowski and G. Schneider}, title = {{Comparison of Support Vector Machine and Artificial Neural Network Systems for Drug/Nondrug Classification}}, journal = {J. Chem. Inf. Comput. Sci.}, year = {2003}, volume = {43}, pages = {1882 - 1889}, number = {6} } @ARTICLE{ByvatovSVMDESCSEL04, author = {E. Byvatov and G. Schneider}, title = {SVM-Based Feature Selection for Characterization of Focused Compound Collections}, journal = {J. Chem. Inf. Comp. Sci.}, year = {2004}, volume = {44}, pages = {993 - 999}, number = {3} } @ARTICLE{CarhartAtomPair85, author = {R. Carhart and D. Smith and R. Venkataraghavan}, title = {Atom Pairs as Molecular Features in Structure-Activity Studies: Definitionand Applications}, journal = {J. Chem. Inf. Comput. Sci.}, year = {1985}, volume = {25}, pages = {64 - 73} } @MANUAL{libsvm01, title = {{LIBSVM: a library for support vector machines}}, author = {C. Chang and C. Lin}, year = {2001}, note = {Available from http://www.csie.ntu.edu.tw/$\sim$cjlin/libsvm} } @CONFERENCE{ChaVap00, author = {O. Chapelle and V. Vapnik}, title = {{Model selection for Support Vector Machines}}, booktitle = {Adv. Neural Inf. Proc. Syst. 12}, year = {2000}, editor = {S. Solla and T. Leen and K.-R. M\"uller}, address = {Cambridge, MA}, publisher = {MIT Press} } @ARTICLE{ChaVapBouMuk98, author = {O. Chapelle and V. Vapnik and O. Bousqet and S. Mukherjee}, title = {{Choosing Multiple Parameters for Support Vector Machines}}, journal = {Machine Learning}, year = {2002}, volume = {46}, pages = {131 - 159}, number = {1} } @CONFERENCE{ChapClustKer03, author = {O. Chapelle and J. Weston and B. Sch\"okopf}, title = {Cluster Kernels for Semi-Supervised Learning}, booktitle = {Neural Inf. Proc. Syst.}, year = {2003} } @CONFERENCE{ChapSemiSup05, author = {O. Chapelle and A. Zien}, title = {Semi-Supervised Classification by Low Density Separation}, booktitle = {AI \& Statistics}, year = {2005} } @CONFERENCE{Chen99GRNNPCompleteness, author = {T. Chen and V. Filkov and S. Skiena}, title = {Identifying gene regulatory networks from experimental data}, booktitle = {Proc. 3rd Ann. Int. Conf. on Comp. Mol. Biology}, year = {1999}, publisher = {ACM-SIGACT} } @ARTICLE{ChenPharmacophoreIdent99, author = {X. Chen and A. Rusinko and A. Tropsha and S. S. Young}, title = {{A}utomated {P}harmacophore {I}dentification for {L}arge {C}hemical {D}ata {S}ets}, journal = {J. Chem. Inf. Comput. Sci.}, year = {1999}, volume = {39}, pages = {887--896} } @ARTICLE{cherkasskySVRModSel, author = {V. Cherkassky and Y. Ma}, title = {Practical Selection of SVM Parameters and Noise Estimation for SVM Regression}, journal = {Neural Networks}, year = {2004}, volume = {17}, pages = {113 - 126}, number = {1} } @ARTICLE{Chewawiwat1999, author = {N. Chewawiwat and M. Yano and K. Terada and N. J. Hoogenraad and M. Mori}, title = {Characterization of the novel mitochondrial protein import component, Tom34, in mammalian cells.}, journal = {J Biochem}, year = {1999}, volume = {125}, pages = {721--727}, number = {4}, month = {Apr}, abstract = {Tom34 is a newly-found component of the mitochondrial protein import machinery in mammalian cells with no apparent counterpart in fungi. RNA blot and immunoblot analyses showed that the expression of Tom34 varies among tissues and differs from that of the core translocase component Tom20. In contrast to a previous report [Nuttal, S.D. et al. (1997) DNA Cell Biol. 16, 1067-1074], the present study using a newly-prepared anti-Tom34 antibody with a high titer showed that Tom34 is present largely in the cytosolic fraction and partly in the mitochondrial and membrane fractions after fractionation of tissues and cells, and that the membrane-associated form is largely extractable with 0.1 M sodium carbonate. The in vitro import of preproteins into isolated rat mitochondria was strongly inhibited by DeltahTom34 which lacks the NH2-terminal hydrophobic region of human Tom34 (hTom34). Import was also strongly inhibited by anti-hTom34. In pulse-chase experiments using COS-7 cells, pre-ornithine transcarbamylase (pOTC) was rapidly processed to the mature form. Coexpression of hTom34 resulted in a stimulation of pOTC processing, whereas the coexpression of hTom34 antisense RNA caused inhibition. The results confirm that Tom34 plays a role in mitochondrial protein import in mammals, and suggest it to be an ancillary component of the translocation machinery in mammalian cells.}, keywords = {Animals; Base Sequence; COS Cells; Carrier Proteins; Cytosol; DNA Primers; Enzyme Precursors; Female; Hela Cells; Humans; Male; Membrane Proteins; Membrane Transport Proteins; Membranes; Mitochondria; Mitochondrial Membrane Transport Proteins; Ornithine Carbamoyltransferase; Pregnancy; Protein Processing, Post-Translational; RNA, Messenger; Rats; Receptors, Cell Surface; Recombinant Proteins; Swine; Tissue Distribution}, owner = {froehlih}, pmid = {10101285}, timestamp = {2008.04.02} } @ARTICLE{cho01, author = {R. Cho and M. Huang and M. Campbell and H. Dong and L. Steinmetz and L. Sapinoso and G. Hampton and S. Elledge and R. Davis and D. Lockhart}, title = {Transcriptional regulation and function during the human cell cycle}, journal = {Nature Genetics}, year = {2001}, volume = {27}, pages = {48-54}, number = {1}, groupsearch = {0}, keywords = {biological datasets} } @ARTICLE{cho98, author = {Cho, R.J. and Campbell M.J. and Winzeler, E.A. and Steinmetz, L. and Conway, A. and Wodicka, L. and Wolfsberg, T.G. and Gabrielian, A.E. and Landsman, D. and Lockhart, D.J. and Davis, R.W.}, title = {A Genome wide transcriptional analysis of the mititic cell cycle}, journal = {Molecular Cell}, year = {1998}, volume = {2}, pages = {65-73}, groupsearch = {0}, keywords = {original papers on biological datasets} } @ARTICLE{ChowLiuMWST68, author = {C. Chow and C. Liu}, title = {Approximating discrete probability distribitions with dependence trees}, journal = {IEEE Trans. Inf. Theory}, year = {1968}, volume = {14}, pages = {462 - 467}, number = {3} } @ARTICLE{chu98, author = {Chu, S. and DeRisi J. and Eisen, M. and Mullholland, J. and Botstein, D. and Brown, P.O. and Herskowitz, I.}, title = {The transcriptional program of sporulation in budding yeast}, journal = {Science}, year = {1998}, volume = {282}, pages = {699-705}, groupsearch = {0}, keywords = {original papers on biological datasets} } @BOOK{ChungSpectralGraph97, title = {Spectral Graph Theory}, publisher = {American Mathematical Society}, year = {1997}, author = {F. Chung}, number = {92}, series = {CBMS Regional Conference Series in Mathematics}, address = {Providence, RI} } @ARTICLE{ParamselSvm03, author = {K. Chung and W. Kao and C. Sun and L. Wang and C. Lin}, title = {Radius Margin Bounds for Support Vector Machines with the RBF Kernel}, journal = {Neural Computation}, year = {2003}, volume = {15}, pages = {2643 - 2681}, number = {11} } @ARTICLE{Cobleigh1999, author = {M. A. Cobleigh and C. L. Vogel and D. Tripathy and N. J. Robert and S. Scholl and L. Fehrenbacher and J. M. Wolter and V. Paton and S. Shak and G. Lieberman and D. J. Slamon}, title = {Multinational study of the efficacy and safety of humanized anti-HER2 monoclonal antibody in women who have HER2-overexpressing metastatic breast cancer that has progressed after chemotherapy for metastatic disease.}, journal = {J Clin Oncol}, year = {1999}, volume = {17}, pages = {2639--2648}, number = {9}, month = {Sep}, abstract = {PURPOSE: Overexpression of the HER2 protein occurs in 25\% to 30\% of human breast cancers and leads to a particularly aggressive form of the disease. Efficacy and safety of recombinant humanized anti-HER2 monoclonal antibody as a single agent was evaluated in women with HER2-overexpressing metastatic breast cancer that had progressed after chemotherapy for metastatic disease. PATIENTS AND METHODS: Two hundred twenty-two women, with HER2-overexpressing metastatic breast cancer that had progressed after one or two chemotherapy regimens, were enrolled. Patients received a loading dose of 4 mg/kg intravenously, followed by a 2-mg/kg maintenance dose at weekly intervals. RESULTS: Study patients had advanced metastatic disease and had received extensive prior therapy. A blinded, independent response evaluation committee identified eight complete and 26 partial responses, for an objective response rate of 15\% in the intent-to-treat population (95\% confidence interval, 11\% to 21\%). The median duration of response was 9.1 months; the median duration of survival was 13 months. The most common adverse events, which occurred in approximately 40\% of patients, were infusion-associated fever and/or chills that usually occurred only during the first infusion, and were of mild to moderate severity. These symptoms were treated successfully with acetaminophen and/or diphenhydramine. The most clinically significant adverse event was cardiac dysfunction, which occurred in 4.7\% of patients. Only 1\% of patients discontinued the study because of treatment-related adverse events. CONCLUSION: Recombinant humanized anti-HER2 monoclonal antibody, administered as a single agent, produces durable objective responses and is well tolerated by women with HER2-overexpressing metastatic breast cancer that has progressed after chemotherapy for metastatic disease. Side effects that are commonly observed with chemotherapy, such as alopecia, mucositis, and neutropenia, are rarely seen.}, keywords = {Adult; Aged; Aged, 80 and over; Antibodies, Monoclonal; Breast Neoplasms; Confidence Intervals; Disease Progression; Disease-Free Survival; Female; Heart Diseases; Humans; Middle Aged; Multivariate Analysis; Quality of Life; Receptor, erbB-2; Time Factors}, owner = {froehlih}, pmid = {10561337}, timestamp = {2008.10.23} } @INPROCEEDINGS{Cohn95ActiveLearning, author = {David A. Cohn and Zoubin Ghahramani and Michael I. Jordan}, title = {Active Learning with Statistical Models}, booktitle = {Advances in Neural Information Processing Systems}, year = {1995}, editor = {G. Tesauro and D. Touretzky and T. Leen}, volume = {7}, pages = {705--712}, publisher = {The {MIT} Press}, url = {citeseer.ist.psu.edu/article/cohn96active.html} } @ARTICLE{coller00, author = {Coller, H.A. and Grandori, C. and Tamayo, P. and Colbert, T. and Lande, E.S. and Eisenman, R.N. and Golub T.R.}, title = {Expression analysis with oligonucleotide microarrays reveals that MYC regulates genes involved in growth, cell cycle, signaling, and adhesion}, journal = {PNAS}, year = {2000}, volume = {97}, pages = {3260-3265}, groupsearch = {0}, keywords = {supervised methods} } @ARTICLE{Consortium2004NumOfGenes, author = {International Human Genome Sequencing Consortium}, title = {Finishing the euchromatic sequence of the human genome.}, journal = {Nature}, year = {2004}, volume = {431}, pages = {931--945}, number = {7011}, month = {Oct}, abstract = {The sequence of the human genome encodes the genetic instructions for human physiology, as well as rich information about human evolution. In 2001, the International Human Genome Sequencing Consortium reported a draft sequence of the euchromatic portion of the human genome. Since then, the international collaboration has worked to convert this draft into a genome sequence with high accuracy and nearly complete coverage. Here, we report the result of this finishing process. The current genome sequence (Build 35) contains 2.85 billion nucleotides interrupted by only 341 gaps. It covers approximately 99\% of the euchromatic genome and is accurate to an error rate of approximately 1 event per 100,000 bases. Many of the remaining euchromatic gaps are associated with segmental duplications and will require focused work with new methods. The near-complete sequence, the first for a vertebrate, greatly improves the precision of biological analyses of the human genome including studies of gene number, birth and death. Notably, the human genome seems to encode only 20,000-25,000 protein-coding genes. The genome sequence reported here should serve as a firm foundation for biomedical research in the decades ahead.}, keywords = {Amino Acid Sequence; Base Sequence; Centromere; Chromosomes, Artificial, Bacterial; Chromosomes, Human; DNA, Complementary; Euchromatin; Gene Duplication; Genes; Genome, Human; Heterochromatin; Human Genome Project; Humans; Molecular Sequence Data; Multigene Family; Physical Chromosome Mapping; Plasmids; Pseudogenes; Research Design; Sensitivity and Specificity; Sequence Analysis, DNA; Telomere}, owner = {froehlih}, pmid = {15496913}, timestamp = {2008.04.22} } @BOOK{cormen01, title = {Introduction to Algorithms}, publisher = {The MIT Press}, year = {2001}, author = {Cormen, T.H. and Leiserson, C.E. and Rivest, R.L. and Stein, C.}, address = {Cambridge, Massachusetts}, edition = {2nd}, groupsearch = {0}, keywords = {algorithmic books} } @ARTICLE{CorVap95, author = {C. Cortes and V. Vapnik}, title = {Support vector networks}, journal = {Machine Learning}, year = {1995}, volume = {20}, pages = {273 - 297} } @INPROCEEDINGS{cotta03, author = {Cotta,C}, title = {A study of Allelic Recombination}, booktitle = {Proceedings of the 2003 Congress on Evolutionary Computation (CEC 2003) }, year = {2003}, volume = {2}, pages = {1406-1413}, publisher = {{IEEE} Press}, groupsearch = {0} } @CONFERENCE{Couto2005GraSM, author = {F. Couto and M. Silva and P. Coutinho}, title = {{Semantic Similarity over the Gene Ontology: Family Correlation and Selecting Disjunctive Ancestors}}, booktitle = {Conference in Information and Knowledge Management}, year = {2005}, owner = {froehlih}, timestamp = {2006.08.17} } @TECHREPORT{Couto2003FuSSiMeg, author = {F. Couto and M. Silva and P. Coutinho}, title = {{Implementation of a Functional Semantic Similarity Measure between Gene-Products}}, institution = {Department of Informatics, University of Lisbon}, year = {2003}, number = {DI/FCUL TR 03--29}, owner = {froehlih}, timestamp = {2006.08.17} } @ARTICLE{CraCoMFA88, author = {R. Cramer and D. Patterson and J. Bunce}, title = {Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins}, journal = {J. Am. Chem. Soc.}, year = {1988}, volume = {110}, pages = {5959 - 5967} } @BOOK{CrisSha00, title = {An Introduction to Support Vector Machines}, publisher = {Cambridge University Press}, year = {2000}, author = {N. Cristianini and J. Shawe-Taylor} } @CONFERENCE{Cris02, author = {N. Cristianini and J. Shawn-Taylor and A. Elisseeff and J. Kandola}, title = {On kernel-target alignment}, booktitle = {Adv. Neural Inf. Proc. Syst. 14}, year = {2002} } @ARTICLE{Cryan2000FST, author = {Cryan, J. and Lucki, I.}, title = {Antidepressant-like effects mediated by 5-hydroxytryptamine2c receptors}, journal = {J. Pharmacol. Exp. Ther.}, year = {2000}, volume = {295}, pages = {1120 - 1126}, number = {3}, owner = {froehlih}, timestamp = {2006.08.15} } @ARTICLE{Cryan2002FST, author = {Cryan, J.F. and Markou, A. and Lucki, I.}, title = {Assessing antidepressant activity in rodents: recent developments and future needs}, journal = {Trends. Pharmacol. Sci.}, year = {2002}, volume = {23}, pages = {238-245}, number = {5}, owner = {froehlih}, timestamp = {2006.07.13} } @ARTICLE{CsatoSparseGP02, author = {L. Csato and M. Opper}, title = {Sparse Online Gaussian Processes}, journal = {Neural Computation}, year = {2002}, volume = {14}, pages = {641 - 669}, number = {3} } @BOOK{R:Dalgaard:2008, title = {Introductory Statistics with {R}}, publisher = {Springer}, year = {2008}, author = {Peter Dalgaard}, pages = {380}, edition = {2nd}, note = {ISBN 978-0-387-79053-4}, abstract = {This book provides an elementary-level introduction to R, targeting both non-statistician scientists in various fields and students of statistics. The main mode of presentation is via code examples with liberal commenting of the code and the output, from the computational as well as the statistical viewpoint. A supplementary R package can be downloaded and contains the data sets. The statistical methodology includes statistical standard distributions, one- and two-sample tests with continuous data, regression analysis, one- and two-way analysis of variance, regression analysis, analysis of tabular data, and sample size calculations. In addition, the last six chapters contain introductions to multiple linear regression analysis, linear models in general, logistic regression, survival analysis, Poisson regression, and nonlinear regression.}, orderinfo = {springer.txt}, publisherurl = {http://www.springer.com/statistics/computational/book/978-0-387-79053-4}, url = {http://www.biostat.ku.dk/~pd/ISwR.html} } @ARTICLE{davies79, author = {Davies, J.L. and Bouldin, D.W.}, title = {A cluster separation measure}, journal = {IEEE Transactions on Pattern Analysis and Machine Intelligence}, year = {1979}, volume = {1}, pages = {224-227}, groupsearch = {0}, keywords = {mathematical clustering} } @CONFERENCE{DavRus94, author = {S. Davies and S. Russel}, title = {{NP-Completeness of Searches for Smallest Possible Feature Sets}}, booktitle = {Proc. 1994 AAAI Fall Symposion on Relevance}, year = {1994}, pages = {37 - 39} } @BOOK{dawkins76, title = {The selfish Gene}, publisher = {Oxford University Press}, year = {1976}, author = {Dawkins, R.}, groupsearch = {0}, keywords = {evolutionary algorithms} } @ARTICLE{DempsterEM77, author = {A. Dempster and N. Laird and D. Rubin}, title = {Maximum likelihood from incomplete data via the EM algorithm}, journal = {J. Royal Statistical Soc., Series B}, year = {1977}, volume = {39}, pages = {1 - 38}, number = {1} } @CONFERENCE{DennisPatternSearch94, author = {J. Dennis and V. 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He}, title = {K-means Clustering via Principal Component Analysis}, booktitle = {Proc. Int. Conf. on Machine Learning}, year = {2004}, pages = {225 - 232} } @CONFERENCE{DingMinMaxCut01, author = {C. Ding and X. He and H. Zha and M. Gu and H. Simon}, title = {Spectral Min-Max Cut for Graph Partitioning and Data Clustering}, booktitle = {Proc. 1st IEEE Int. Conf. Data Mining}, year = {2001}, pages = {107 -114} } @ARTICLE{doniger03, author = {S.W. Doniger and N.Salomonis and K.D. Dahlqusi and K. Vranizan and S.C. Lawlor and B.R. Conklin}, title = {{MAPPF}inder: using {G}ene {O}ntology and {G}en{MAPP} to create a global gene-expression profile from microarray data}, journal = {Genome Biology}, year = {2003}, volume = {4}, pages = {R7}, number = {1} } @ARTICLE{Driessche2005Epistasis, author = {N. Van Driessche and J. Demsar and E. Booth and P. Hill and P. Juvan and B. Zupan and A. Kuspa and G. Shaulsky}, title = {Epistasis Analysis with Global Transcriptional Phenotypes}, journal = {Nature Genetics}, year = {2005}, volume = {37}, pages = {471 - 477}, number = {5}, owner = {froehlih}, timestamp = {2007.09.17} } @BOOK{DudaHart2001, title = {Pattern Classification}, publisher = {Wiley-Interscience}, year = {2001}, author = {R. Duda and P. Hart and D. Stork}, address = {New York} } @ARTICLE{dunn74, author = {Dunn, J.C.}, title = {Well separated clusters and optimal fuzzy partitions}, journal = {Journal of Cybernetics}, year = {1974}, volume = {4}, pages = {95-104} } @ARTICLE{Efron2002localFDR, author = {B. Efron and R. Tibshirani}, title = {Empirical Bayes methods and false discovery rates for microarrays}, journal = {Genetic Epidemiology}, year = {2002}, volume = {23}, pages = {70 - 86}, owner = {froehlih}, timestamp = {2007.02.02} } @INPROCEEDINGS{eisen98, author = {M. Eisen and P. Spellman and D. Botstein and P. Brown}, title = {Cluster Analysis and Display of Genome-wide Expression Patterns.}, booktitle = {Proceedings of the National Academy of Sciences, USA}, year = {1998}, volume = {95}, pages = {14863-14867}, groupsearch = {0}, keywords = {mathematical clustering} } @BOOK{Eshelman91, title = {The CHC Adaptive Search Algorithm, How to Have a Safe Search When Engaging in Non-traditional Genetic Recombination}, publisher = {Morgan Kaufman}, year = {1991}, author = {L. Eshelman}, pages = {265 - 283} } @ARTICLE{feherBBB00, author = {M. Feher and E. Sourial and J. Schmidt}, title = {A simple model for the prediction of blood-brain partitioning}, journal = {Int. J. Pharmaceut.}, year = {2000}, volume = {201}, pages = {239 - 247} } @BOOK{fellbaum98, title = {{WordNet. An electronic lexical database}}, publisher = {MIT Press}, year = {1998}, author = {Fellbaum, C.}, address = {Massachusetts, Cambidge}, groupsearch = {0}, keywords = {semantic distances} } @ARTICLE{FigueareasRingPercept96, author = {J. Figueras}, title = {{R}ing {P}erception {U}sing {B}readth--{F}irst {S}earch}, journal = {J. Chem. Inf. Comput. Sci.}, year = {1996}, volume = {36}, pages = {986--991}, abstract = {Combining breadth-first search with new ideas for uncovering embedded rings in complex systems 1 yields a very fast routine for ring perception. With large structures, the new routine is orders of magnitude faster than depth-first ring detection, a result expected on the basis of recent work that establishes polynomial order for BFS.2}, contents = {Smallest Set of Smallest Ring (SSSR), Bread First Search (BFS), Binary Edge Encoded Path (BEEP), message passing algorithm} } @ARTICLE{FireMelloRNAinterference1998, author = {Fire, A. and Xu, S. and Montgomery, M.K. and Kostas, S.A. and Driver, S.E. and Mello, C.C.}, title = {Potent and specific genetic interference by double-stranded RNA in Caenorhabditis elegans.}, journal = {Nature}, year = {1998}, volume = {391}, pages = {806 - 811}, owner = {froehlih}, timestamp = {2007.05.02} } @ARTICLE{Flicek2008Ensembl, author = {P. Flicek and B. L. Aken and K. Beal and B. Ballester and M. Caccamo and Y. Chen and L. Clarke and G. Coates and F. Cunningham and T. Cutts and T. Down and S. C. Dyer and T. Eyre and S. Fitzgerald and J. Fernandez-Banet and S. Gr�f and S. Haider and M. Hammond and R. Holland and K. L. Howe and K. Howe and N. Johnson and A. Jenkinson and A. K�h�ri and D. Keefe and F. Kokocinski and E. Kulesha and D. Lawson and I. Longden and K. Megy and P. Meidl and B. Overduin and A. Parker and B. Pritchard and A. Prlic and S. Rice and D. Rios and M. Schuster and I. Sealy and G. Slater and D. Smedley and G. Spudich and S. Trevanion and A. J. Vilella and J. Vogel and S. White and M. Wood and E. Birney and T. Cox and V. Curwen and R. Durbin and X. M. Fernandez-Suarez and J. Herrero and T. J P Hubbard and A. Kasprzyk and G. Proctor and J. Smith and A. Ureta-Vidal and S. Searle}, title = {Ensembl 2008}, journal = {Nucleic Acids Res}, year = {2008}, volume = {36}, pages = {D707--D714}, number = {Database issue}, month = {Jan}, doi = {10.1093/nar/gkm988}, keywords = {Animals; Computer Graphics; Databases, Genetic; Genomics; Humans; Internet; Mice; Regulatory Elements, Transcriptional; Software; User-Computer Interface}, owner = {froehlih}, pii = {gkm988}, pmid = {18000006}, timestamp = {2008.04.01}, url = {http://dx.doi.org/10.1093/nar/gkm988} } @MASTERSTHESIS{Froe02, author = {H. Fr\"ohlich}, title = {{Feature Selection for Support Vector Machines by Means of Genetic Algorithms}}, school = {University of Marburg}, year = {2002}, note = {http://www-ra/informatik.uni-tuebingen.de/mitarb/froehlich} } @ARTICLE{Froehlich2008, author = {H. Fr\"ohlich and T. Bei{\ss}barth and A. Tresch and D. Kostka and J. Jacob and R. Spang and F. Markowetz}, title = {{Analyzing gene perturbation screens with nested effects models in R and bioconductor}}, journal = {Bioinformatics}, year = {2008}, volume = {24}, pages = {2549--2550}, number = {21}, month = {Nov}, abstract = {Nested effects models (NEMs) are a class of probabilistic models introduced to analyze the effects of gene perturbation screens visible in high-dimensional phenotypes like microarrays or cell morphology. NEMs reverse engineer upstream/downstream relations of cellular signaling cascades. NEMs take as input a set of candidate pathway genes and phenotypic profiles of perturbing these genes. NEMs return a pathway structure explaining the observed perturbation effects. Here, we describe the package nem, an open-source software to efficiently infer NEMs from data. Our software implements several search algorithms for model fitting and is applicable to a wide range of different data types and representations. The methods we present summarize the current state-of-the-art in NEMs. AVAILABILITY: Our software is written in the R language and freely avail-able via the Bioconductor project at http://www.bioconductor.org.}, doi = {10.1093/bioinformatics/btn446}, institution = {German Cancer Research Center, INF 580, 69120 Heidelberg, Germany.}, keywords = {Algorithms; Gene Expression; Gene Expression Profiling; Models, Statistical; Oligonucleotide Array Sequence Analysis; Software; User-Computer Interface}, owner = {froehlih}, pii = {btn446}, pmid = {18718939}, timestamp = {2008.11.25}, url = {http://dx.doi.org/10.1093/bioinformatics/btn446} } @ARTICLE{FroeChapScho04FeatselGA, author = {H. Fr\"ohlich and O. Chapelle and B. Sch\"olkopf}, title = {{Feature Selection for Support Vector Machines using Genetic Algorithms}}, journal = {Int. J. AI Tools: Special Issue on Selected Papers from the 15th IEEE Int. Conf. on Tools with AI 2003}, year = {2004}, volume = {13}, pages = {791 - 800}, number = {4} } @CONFERENCE{Froe03, author = {H. Fr\"ohlich and O. Chapelle and B. Sch\"olkopf}, title = {{Feature Selection for Support Vector Machines by Means of Genetic Algorithms}}, booktitle = {Proc. 15th IEEE Int. Conf. on Tools with AI}, year = {2003}, pages = {142 - 148} } @ARTICLE{Frohlich2008NEMsBioinformatics, author = {H. Fr\"ohlich and M. Fellmann and H. S\"ultmann and A. Poustka and T. Bei{\ss}barth}, title = {{Estimating Large Scale Signaling Networks through Nested Effect Models with Intervention Effects from Microarray Data}}, journal = {Bioinformatics}, year = {2008}, volume = {24}, pages = {2650-2656}, note = {doi: 10.1093/bioinformatics/btm634}, owner = {froehlih}, timestamp = {2008.01.10} } @CONFERENCE{Frohlich2007GCBRNAi, author = {H. Fr\"ohlich and M. Fellmann and H. S\"ultmann and A. Poustka and T. Bei{\ss}barth}, title = {Estimating Large Scale Signaling Networks through Nested Effects Models from Intervention Effects in Microarray Data}, booktitle = {Proc. German Conf. on Bioinformatics}, year = {2007}, pages = {45 - 54}, owner = {froehlih}, timestamp = {2007.09.14} } @ARTICLE{Frohlich2007RNAiBMC, author = {H. Fr\"ohlich and M. Fellmann and H. S\"ultmann and A. Poustka and T. Bei{\ss}barth}, title = {{Large Scale Statistical Inference of Signaling Pathways from RNAi and Microarray Data}}, journal = {BMC Bioinformatics}, year = {2007}, volume = {8}, pages = {386}, owner = {froehlih}, timestamp = {2007.10.01} } @CONFERENCE{FroeSpikes05, author = {H. Fr\"ohlich and B. Naundorf and M. Volgushev and F. Wolf}, title = {Which Features Trigger Action Potentials in Cortical Neurons in Vivo?}, booktitle = {Proc. Int. Joint Conf. Neural Networks}, year = {2005}, pages = {250 - 255} } @ARTICLE{Frohlich2009DEPNs, author = {H. Fr\"ohlich and \"O. Sahin and D. Arlt and C. Bender and T. Beissbarth}, title = {{Deterministic Effects Propagation Networks for Reconstructing Protein Signaling Networks from Multiple Interventions}}, journal = {BMC Bioinformatics}, year = {2009}, volume = {10}, pages = {322}, owner = {holfro}, timestamp = {2009.05.14} } @ARTICLE{Froehlich2007GOSim, author = {H. Fr\"ohlich and N. Speer and A. Poustka and T. Beissbarth}, title = {{GOSim - An R-Package for Computation of Information Theoretic GO Similarities Between Terms and Gene Products}}, journal = {BMC Bioinformatics}, year = {2007}, volume = {8}, pages = {166}, owner = {froehlih}, timestamp = {2007.12.07} } @CONFERENCE{FroeSpeerGOKer06, author = {H. Fr\"ohlich and N. Speer and A. Zell}, title = {Kernel Based Functional Gene Grouping}, booktitle = {Proc. Int. Joint Conf. Neural Networks}, year = {2006}, pages = {6886 - 6891} } @ARTICLE{Frohlich2009NEMComplete, author = {H. Fr\"ohlich and A. Tresch and T. Beissbarth}, title = {Nested Effects Models for Learning Signaling Networks from Perturbation Data}, journal = {Biometrical Journal}, year = {2009}, volume = {2}, pages = {304 - 323}, number = {51}, owner = {holfro}, timestamp = {2009.07.27} } @CONFERENCE{FroehOAKernelsICML05, author = {H. Fr\"ohlich and J. Wegner and F. Sieker and A. Zell}, title = {Optimal Assignment Kernels For Attributed Molecular Graphs}, booktitle = {Proc. Int. Conf. Machine Learning}, year = {2005}, editor = {L. De Raedt and S. Wrobel}, pages = {225 - 232}, publisher = {ACM Press} } @ARTICLE{FroehOAKernelsQSAR05, author = {H. Fr\"ohlich and J. Wegner and F. Sieker and A. Zell}, title = {Kernel Functions for Attributed Molecular Graphs -- A New Similarity Based Approach To ADME Prediction in Classification and Regression}, journal = {QSAR \& Comb. Sci.}, year = {2006}, volume = {25}, pages = {317 - 326}, number = {4}, publisher = {Wiley Interscience} } @CONFERENCE{FroehOAKernelsIJCNN05, author = {H. Fr\"ohlich and J. Wegner and A. Zell}, title = {Assignment Kernels For Chemical Compounds}, booktitle = {Proc. Int. Joint Conf. Neural Networks}, year = {2005}, pages = {913 - 918} } @ARTICLE{FroeQSAR04, author = {H. Fr\"ohlich and J. K. Wegner and A. Zell}, title = {{T}owards {O}ptimal {D}escriptor {S}ubset {S}election with {S}upport {V}ector {M}achines in {C}lassification and {R}egression}, journal = {QSAR \& Comb. Sci.}, year = {2004}, volume = {23}, pages = {311--318}, abstract = {In this paper we present a novel method for selecting descriptor subsets by means of Support Vector Machines in classification and regression - the Incremental Regularized Risk Minimization (IRRM) algorithm. In contrast to many other wrapper methods it is fully deterministic and computationally efficient. We compare our method to existing algorithms and present results on a Human Intestinal Absorption (HIA) classification data set and the Huuskonen regression data set for aqueous solubility.} } @CONFERENCE{FroehEPSGO05, author = {H. Fr\"ohlich and A. Zell}, title = {Efficient Parameter Selection for Support Vector Machines in Classification and Regression via Model-Based Global Optimization}, booktitle = {Proc. Int. Joint Conf. Neural Networks}, year = {2005}, pages = {1431 - 1438} } @CONFERENCE{Froe04, author = {H. Fr\"ohlich and A. Zell}, title = {{Feature Subset Selection for Support Vector Machines by Incremental Regularized Risk Minimization}}, booktitle = {Proc. IEEE Int. Joint Conf. on Neural Networks (IJCNN)}, year = {2004}, volume = {3}, pages = {2041 - 2046} } @ARTICLE{Fraley2002Mclust, author = {C. Fraley and A. E. Raftery}, title = {Model-based clustering, discriminant analysis, and density estimation}, journal = {Journal of the American Statistical Association}, year = {2002}, volume = {97}, pages = {611:631}, owner = {holfro}, timestamp = {2009.05.06} } @ARTICLE{FreundBoosting1996, author = {Y. Freund and R. Shapire}, title = {A decision-theoretic generalization of on-line learning and an application to boosting}, journal = {J. Comp. and Syst. Sci.}, year = {1996}, volume = {55}, pages = {119 - 139}, number = {1}, owner = {froehlih}, timestamp = {2006.10.26} } @ARTICLE{Fried05SVDimpute, author = {S. Friedland and A. Niknejad and L. Chihara}, title = {{A Simultaneous Reconstruction of Missing Data in DNA Microarrays}}, journal = {Linear Algebra Appl.}, year = {2005}, note = {to appear} } @ARTICLE{Froehlich2011, author = {Holger Fr�hlich and Paurush Praveen and Achim Tresch}, title = {{Fast and efficient dynamic nested effects models.}}, journal = {Bioinformatics}, year = {2011}, volume = {27}, pages = {238--244}, number = {2}, month = {Jan}, abstract = {Targeted interventions in combination with the measurement of secondary effects can be used to computationally reverse engineer features of upstream non-transcriptional signaling cascades. Nested effect models (NEMs) have been introduced as a statistical approach to estimate the upstream signal flow from downstream nested subset structure of perturbation effects. The method was substantially extended later on by several authors and successfully applied to various datasets. The connection of NEMs to Bayesian Networks and factor graph models has been highlighted.Here, we introduce a computationally attractive extension of NEMs that enables the analysis of perturbation time series data, hence allowing to discriminate between direct and indirect signaling and to resolve feedback loops.The implementation (R and C) is part of the Supplement to this article.}, doi = {10.1093/bioinformatics/btq631}, institution = {Rheinische Friedrich-Wilhelms-Universit�t Bonn, Bonn-Aachen International Center for IT, Bonn, Germany. frohlich@bit.uni-bonn.de}, keywords = {Animals; Computer Simulation; Embryonic Stem Cells; Gene Regulatory Networks; Mice; Models, Biological; Models, Statistical; Signal Transduction}, owner = {frohlich}, pii = {btq631}, pmid = {21068003}, timestamp = {2012.01.30}, url = {http://dx.doi.org/10.1093/bioinformatics/btq631} } @ARTICLE{GasteigerPartialCharge78, author = {J. Gast\-eiger and M. Marsili}, title = {{A} {N}ew {M}odel for {C}alculating {A}tomic {C}harges in {M}olecules}, journal = {Tetrahedron Lett.}, year = {1978}, volume = {34}, pages = {3181--3184} } @ARTICLE{gatViks03, author = {I. Gat-Viks and R. Sharan and R. Shamir}, title = {Scoring clustering solutions by their biological relevance}, journal = {Bioinformatics}, year = {2003}, volume = {19}, pages = {2381-2389}, number = {18}, doi = {DOI: 10.1093/bioinformatics/btg330} } @ARTICLE{GatViks2006FactorGraph, author = {I. Gat-Viks and A. Tanay and D. Raijman and R. Shamir}, title = {A probabilistic methodology for integrating knowledge and experiments}, journal = {J. Comp. Biol.}, year = {2006}, volume = {13}, pages = {165 - 181}, number = {2}, owner = {froehlih}, timestamp = {2008.02.18} } @BOOK{GelmanBayesBook2004, title = {Bayesian Data Analysis}, publisher = {Chapman \& Hall/CRC}, year = {2004}, author = {A. Gelman and J. Carlin and H. Stern and D. Rubin}, owner = {froehlih}, timestamp = {2006.10.23} } @MISC{Gene2004, author = {{Gene {L}ynx}}, howpublished = {http://www.genelynx.org}, year = {2004}, groupsearch = {0}, keywords = {software}, owner = {froehlih}, timestamp = {2008.10.02} } @MISC{genelynx, author = {{Gene {L}ynx}}, howpublished = {http://www.genelynx.org}, year = {2004}, groupsearch = {0}, keywords = {software} } @ARTICLE{Gille1999f, author = {H. Gille and J. Downward}, title = {Multiple ras effector pathways contribute to G(1) cell cycle progression.}, journal = {J Biol Chem}, year = {1999}, volume = {274}, pages = {22033--22040}, number = {31}, month = {Jul}, abstract = {The involvement of Ras in the activation of multiple early signaling pathways is well understood, but it is less clear how the various Ras effectors interact with the cell cycle machinery to cause G(1) progression. Ras-mediated activation of extracellular-regulated kinase/mitogen-activated protein kinase has been implicated in cyclin D(1) up-regulation, but there is little extracellular-regulated kinase activity during the later stages of G(1), when cyclin D(1) expression becomes maximal, implying that other effector pathways may also be important in cyclin D(1) induction. We have addressed the involvement of Ras effectors from the phosphatidylinositol (PI) 3-kinase and Ral-GDS families in G(1) progression and compared it to that of the Raf/mitogen-activated protein kinase pathway. PI 3-kinase activity is required for the expression of endogenous cyclin D(1) and for S phase entry following serum stimulation of quiescent NIH 3T3 fibroblasts. Activated PI 3-kinase induces cyclin D(1) transcription and E2F activity, at least in part mediated by the serine/threonine kinase Akt/PKB, and to a lesser extent the Rho family GTPase Rac. In addition, both activated Ral-GDS-like factor and Raf stimulate cyclin D(1) transcription and E2F activity and act in synergy with PI 3-kinase. Therefore, multiple cooperating pathways mediate the effects of Ras on progression through the cell cycle.}, keywords = {1-Phosphatidylinositol 3-Kinase; 3T3 Cells; Animals; Calcium-Calmodulin-Dependent Protein Kinases; Cell Cycle; Cyclin D1; G1 Phase; GTPase-Activating Proteins; Gene Expression Regulation; Genes, Reporter; Humans; Kinetics; Mice; Promoter Regions (Genetics); Protein-Serine-Threonine Kinases; Proteins; Proto-Oncogene Proteins; Proto-Oncogene Proteins c-akt; Proto-Oncogene Proteins c-raf; S Phase; Signal Transduction; Transfection; ras GTPase-Activating Proteins; ras Proteins}, owner = {froehlih}, pmid = {10419529}, timestamp = {2008.10.23} } @ARTICLE{Godden2003RecPartitioning, author = {J. Godden and J. Furr and L. Xue and F. Stahura and J. Bajorath}, title = {Recursive Median Partitioning for Virtual Screening of Large Databases}, journal = {J. Chem. Inf. Comp. Sci.}, year = {2003}, volume = {43}, pages = {182 - 188}, owner = {holger}, timestamp = {2006.10.15} } @ARTICLE{goeman04, author = {Goeman, J.J. and van de Geer, S.A. and de Kort, F. and van Houwelingen, H.C.}, title = {A global test for groups of genes: testing association with a clinical outcome.}, journal = {Bioinformatics}, year = {2004}, volume = {20}, pages = {93-99}, number = {1}, doi = {10.1093/bioinformatics/btg382} } @CONFERENCE{GohlkeHIA01, author = {H. Gohlke and F. Dullweber and W. Kamm and J. M\"arz and T. Kissel and G. Klebe}, title = {Prediction of Human Intestinal Absorption using a combined 'Simmulated Annealing/Backpropagation Neural Network' Approach}, booktitle = {Rational Approaches Drug Des.}, year = {2001}, editor = {H.-D. H\"ultje and W. Sippl}, pages = {261 - 270}, address = {Barcelona}, publisher = {Prous Science Press} } @BOOK{Goldberg98, title = {Genetic Algorithms in Search, Optimization and Machine Learning}, publisher = {Addison Wesley}, year = {1998}, author = {D. Goldberg}, address = {Reading} } @ARTICLE{Golub99, author = {T. Golub and D. Slonim and P. Tamayo and C. Huard and M. Gaasenbeek and J. Mesirov and H. Coller and M. Loh and J. Downing and M. Caligiuri and C. D. Bloomfield and E. S. Lander}, title = {{Molecular classification of cancer: Class discovery and class prediction by gene expression monitoring}}, journal = {Science}, year = {1999}, volume = {286}, pages = {531 - 537} } @ARTICLE{golub99, author = {Golub, T.R. and Slonim, D.K. and Tamayo, P. and Huard, C. and Gaasenbeek, M. and Mesirov, J.P. and Coller, H. and Loh, M.L. and Downing, J.R. and Caliguri, M.A. and Bloomfield, C.D. and Lander, E.S.}, title = {Molecular Classification of Cancer: Class Discovery by Gene Expression Monitoring}, journal = {Science}, year = {1999}, volume = {286}, pages = {531-537}, groupsearch = {0}, keywords = {supervised methods} } @ARTICLE{OrlandRGonzalez10112006SimAnn, author = {Gonzalez, Orland R. and Kuper, Christoph and Jung, Kirsten and Naval, Prospero C., Jr. and Mendoza, Eduardo}, title = {{Parameter estimation using Simulated Annealing for S-system models of biochemical networks}}, journal = {Bioinformatics}, year = {2006}, pages = {btl522}, abstract = {Motivation: High-throughput technologies now allow the acquisition of biological data such as comprehensive biochemical time-courses at unprecedented rates. These temporal profiles carry topological and kinetic information regarding the biochemical network from which they were drawn. Retrieving this information will require systematic application of both experimental and computational methods.Results: S-systems are non-linear mathematical approximative models based on the power-law formalism. They provide a general framework for the simulation of integrated biological systems exhibiting complex dynamics such as genetic circuits, signal transduction and metabolic networks. We describe how the heuristic optimization technique Simulated Annealing can be effectively used for estimating the parameters of S-systems from time-course biochemical data. We demonstrate our methods using 3 artificial networks designed to simulate different network topologies and behavior. We then end with an application to a real biochemical network by creating a working model for the cadBA system in E. coli.Availability: The source code written in C++ is available at http://www.engg.upd.edu.ph/~naval/bioinformcode.html. All the necessary programs including the required compiler are described in a document archived with the source code.}, doi = {10.1093/bioinformatics/btl522}, eprint = {http://bioinformatics.oxfordjournals.org/cgi/reprint/btl522v1.pdf}, url = {http://bioinformatics.oxfordjournals.org/cgi/content/abstract/btl522v1} } @ARTICLE{gowda78, author = {Gowda, K.C. and Krishna, G.}, title = {Agglomertative clustering using the concept of mutual nearest neighborhood}, journal = {Pattern Recognition}, year = {1978}, volume = {10}, pages = {105-112}, groupsearch = {0}, keywords = {mathematical clustering} } @ARTICLE{GutmannRBFOpt01, author = {H. Gutmann}, title = {A radial basis function method for global optimization}, journal = {J. Global Optimization}, year = {2001}, volume = {19}, pages = {201 - 227}, number = {3} } @ARTICLE{GuyEli03, author = {I. Guyon and A. Elisseeff}, title = {{An Introduction into Variable and Feature Selection}}, journal = {{J. Machine Learning Research Special Issue on Variable and Feature Selection}}, year = {2003}, volume = {3}, pages = {1157 - 1182} } @ARTICLE{GuyWesBarVap02, author = {I. Guyon and J. Weston and S. Barnhill and V. Vapnik}, title = {{Gene Selection for Cancer Classification using Support Vector Machines}}, journal = {Machine Learning}, year = {2002}, volume = {46}, pages = {389 - 422} } @CONFERENCE{gaertnerGraphKer03, author = {T. G{\"a}rtner and P. Flach and S. Wrobel}, title = {{On graph kernels: Hardness results and efficient alternatives}}, booktitle = {Proc. 16th Ann. Conf. Comp. Learning Theory and 7th Ann. Workshop on Kernel Machines}, year = {2003} } @ARTICLE{Hahne2008, author = {Florian Hahne and Alexander Mehrle and Dorit Arlt and Annemarie Poustka and Stefan Wiemann and Tim Beissbarth}, title = {Extending pathways based on gene lists using InterPro domain signatures.}, journal = {BMC Bioinformatics}, year = {2008}, volume = {9}, pages = {3}, abstract = {BACKGROUND: High-throughput technologies like functional screens and gene expression analysis produce extended lists of candidate genes. Gene-Set Enrichment Analysis is a commonly used and well established technique to test for the statistically significant over-representation of particular pathways. A shortcoming of this method is however, that most genes that are investigated in the experiments have very sparse functional or pathway annotation and therefore cannot be the target of such an analysis. The approach presented here aims to assign lists of genes with limited annotation to previously described functional gene collections or pathways. This works by comparing InterPro domain signatures of the candidate gene lists with domain signatures of gene sets derived from known classifications, e.g. KEGG pathways. RESULTS: In order to validate our approach, we designed a simulation study. Based on all pathways available in the KEGG database, we create test gene lists by randomly selecting pathway genes, removing these genes from the known pathways and adding variable amounts of noise in the form of genes not annotated to the pathway. We show that we can recover pathway memberships based on the simulated gene lists with high accuracy. We further demonstrate the applicability of our approach on a biological example. CONCLUSION: Results based on simulation and data analysis show that domain based pathway enrichment analysis is a very sensitive method to test for enrichment of pathways in sparsely annotated lists of genes. An R based software package domainsignatures, to routinely perform this analysis on the results of high-throughput screening, is available via Bioconductor.}, doi = {10.1186/1471-2105-9-3}, keywords = {Algorithms; Amino Acid Sequence; Database Management Systems; Databases, Protein; Gene Expression Profiling; Molecular Sequence Data; Oligonucleotide Array Sequence Analysis; Protein Structure, Tertiary; Proteins; Signal Transduction; Structure-Activity Relationship}, owner = {froehlih}, pii = {1471-2105-9-3}, pmid = {18177498}, timestamp = {2008.03.25}, url = {http://dx.doi.org/10.1186/1471-2105-9-3} } @ARTICLE{hal98all, author = {T. A. Halgren}, title = {{M}erck molecular force field. {I--V}. {MMFF94} {B}asics and {P}arameters}, journal = {J. Comput. 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Hastie and S. Rosset and R. Tishbirani and J. Zhu}, title = {The Entire Regularization Path for Support Vector Machines}, journal = {J. Machine Learning Research}, year = {2004}, volume = {5}, pages = {1391 - 1415} } @BOOK{HastieTibshiraniBook2001, title = {The Elements of Statistical Learning}, publisher = {Springer}, year = {2001}, author = {T. Hastie and R. Tibshirani and J. Friedman}, address = {New York, NY, USA}, owner = {froehlih}, timestamp = {2006.10.23} } @TECHREPORT{Haussler99, author = {D. Haussler}, title = {Convolution Kernels on Discrete Structures}, institution = {University of California Santa Cruz}, year = {1999}, number = {UCSC-CRL-99-10} } @ARTICLE{HeckermanBN97, author = {D. 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Sci.}, year = {2000}, volume = {40}, pages = {773-777} } @ARTICLE{hvidsten03, author = {T. Hvidsten and A. Laegreid and J. Komorowski}, title = {Learning rule-based models of biological process from gene expression time profiles using {G}ene {O}ntology}, journal = {Bioinformatics}, year = {2003}, volume = {19}, pages = {1116-1123}, number = {9}, keywords = {gene ontology supervised methods} } @ARTICLE{Ideker2001, author = {T. Ideker and V. Thorsson and J. A. Ranish and R. Christmas and J. Buhler and J. K. Eng and R. Bumgarner and D. R. Goodlett and R. Aebersold and L. Hood}, title = {Integrated genomic and proteomic analyses of a systematically perturbed metabolic network.}, journal = {Science}, year = {2001}, volume = {292}, pages = {929--934}, number = {5518}, month = {May}, abstract = {We demonstrate an integrated approach to build, test, and refine a model of a cellular pathway, in which perturbations to critical pathway components are analyzed using DNA microarrays, quantitative proteomics, and databases of known physical interactions. Using this approach, we identify 997 messenger RNAs responding to 20 systematic perturbations of the yeast galactose-utilization pathway, provide evidence that approximately 15 of 289 detected proteins are regulated posttranscriptionally, and identify explicit physical interactions governing the cellular response to each perturbation. We refine the model through further iterations of perturbation and global measurements, suggesting hypotheses about the regulation of galactose utilization and physical interactions between this and a variety of other metabolic pathways.}, doi = {10.1126/science.292.5518.929}, institution = {The Institute for Systems Biology, 4225 Roosevelt Way NE, Suite 200, Seattle, WA 98105, USA. tideker@systemsbiology.org}, keywords = {Computational Biology; Culture Media; Databases, Factual; Fungal Proteins, metabolism; Galactose, metabolism; Galactosephosphates, metabolism; Gene Expression Profiling; Gene Expression Regulation, Fungal; Genome, Fungal; Models, Biological; Models, Genetic; Monosaccharide Transport Proteins, metabolism; Mutation; Oligonucleotide Array Sequence Analysis; Proteome; RNA, Fungal, genetics/metabolism; RNA, Messenger, genetics/metabolism; Saccharomyces cerevisiae Proteins; Saccharomyces cerevisiae, genetics/metabolism}, owner = {holfro}, pii = {292/5518/929}, pmid = {11340206}, timestamp = {2009.04.24}, url = {http://dx.doi.org/10.1126/science.292.5518.929} } @CONFERENCE{Imoto2003NetworkPrior, author = {Imoto, S., Higuchi and T., Goto, T. and Tashiro, K. and Kuhara, S. and Miyano, S.}, title = {Combining Microarrays and Biological Knowledge for Estimating Gene Networks via Bayesian Networks}, booktitle = {Proc. 2nd Computational Systems Bioinformatics}, year = {2003}, pages = {104 - 113}, journal = {Proc. 2nd Computational Systems Bioinformatics}, owner = {froehlih}, timestamp = {2007.12.14} } @CONFERENCE{Inokuchi00, author = {A. Inokuchi and T. Washio and H. Motoda}, title = {An Apriori-based algorithm for mining frequent substructures from graph data}, booktitle = {Proc. 4th PKDD}, year = {2000}, pages = {13 - 23} } @ARTICLE{Ivanova2006, author = {Natalia Ivanova and Radu Dobrin and Rong Lu and Iulia Kotenko and John Levorse and Christina DeCoste and Xenia Schafer and Yi Lun and Ihor R Lemischka}, title = {Dissecting self-renewal in stem cells with RNA interference.}, journal = {Nature}, year = {2006}, volume = {442}, pages = {533--538}, number = {7102}, month = {Aug}, abstract = {We present an integrated approach to identify genetic mechanisms that control self-renewal in mouse embryonic stem cells. We use short hairpin RNA (shRNA) loss-of-function techniques to downregulate a set of gene products whose expression patterns suggest self-renewal regulatory functions. We focus on transcriptional regulators and identify seven genes for which shRNA-mediated depletion negatively affects self-renewal, including four genes with previously unrecognized roles in self-renewal. Perturbations of these gene products are combined with dynamic, global analyses of gene expression. Our studies suggest specific biological roles for these molecules and reveal the complexity of cell fate regulation in embryonic stem cells.}, doi = {10.1038/nature04915}, institution = {Department of Molecular Biology, Princeton University, Princeton, New Jersey 08544, USA. nivanova@molbio.princeton.edu}, keywords = {Animals; Cell Differentiation; Cell Line; Cell Proliferation; DNA-Binding Proteins; Embryo, Mammalian; Gene Expression; Genetic Complementation Test; Homeodomain Proteins; Mice; RNA Interference; Regeneration; Stem Cells}, owner = {frohlich}, pii = {nature04915}, pmid = {16767105}, timestamp = {2012.01.30}, url = {http://dx.doi.org/10.1038/nature04915} } @ARTICLE{iyer99, author = {V. Iyer and M. Eisen and D. Ross and G. Schuler and T. Moore and J. Lee and J. Trent and L. Staudt and J. Hudson Jr, and M. Boguski and D. Lashkari and D. Shalon and D. Botstein and P. Brown}, title = {The Transcriptional Program in Response of Human Fibroblasts to Serum}, journal = {Science}, year = {1999}, volume = {283}, pages = {83-87}, groupsearch = {0}, keywords = {original papers on biological datasets} } @CONFERENCE{JakHau99, author = {T. S. Jaakkola and D. Haussler}, title = {Probalistic kernel regression models}, booktitle = {Proc. 1999 Conf. AI and Statistics}, year = {1999} } @BOOK{jain88, title = {Algorithms for Clustering Data}, publisher = {Prentice Hall}, year = {1988}, author = {Jain, A.K. and Dubes, R.C.}, address = {Englewood Cliffs, New Jersey 07632}, groupsearch = {0}, keywords = {algorithmic books} } @BOOK{jainBookClustering88, title = {Algorithms for Clustering Data}, publisher = {Prentice-Hall}, year = {1988}, author = {A. Jain and R. Dubes}, address = {Englewood Cliffs, NJ} } @ARTICLE{jain99data, author = {A. K. Jain and M. N. Murty and P. J. 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Pfleger}, title = {Irrelevant features and the subset selection problem}, booktitle = {Machine Learning: Proc. 11th Int. Conf.}, year = {1994}, pages = {121 - 129}, publisher = {Morgan Kaufmann} } @ARTICLE{PerttunenDIRECT93, author = {D. Jones and C. Perttunnen and B. Stuckman}, title = {Lipschitzian Optimization without the Lipschitz Constant}, journal = {J. Optimization Theory and Applications}, year = {1993}, volume = {79}, pages = {157 - 181}, number = {1} } @ARTICLE{JonesEGO98, author = {D. Jones and M. Schonlau and W. Welch}, title = {Efficient Global Optimization of Expensive Black-Box Functions}, journal = {J. Global Optimization}, year = {1998}, volume = {13}, pages = {455 - 492} } @ARTICLE{joslyn04categorizer, author = {C.A. Joslyn and S.M. Mniszewski and A. Fulmer and G. Heaton}, title = {The Gene Ontology Categorizer}, journal = {Bioinformatics}, year = {2004}, volume = {20}, pages = {i169-i177}, number = {1}, doi = {10.1093/bioinformatics/bth921} } @ARTICLE{Kanehisa2008KEGG, author = {Kanehisa, M. and Araki, M. and Goto, S. and Hattori, M. and Hirakawa, M. and Itoh, M. and Katayama, T. and Kawashima, S. and Okuda, S. and Tokimatsu, T. and Yamanishi, Y.}, title = {KEGG for linking genomes to life and the environment}, journal = {Nucleic Acids Res.}, year = {2008}, volume = {36}, pages = {D480 - D484}, owner = {froehlih}, timestamp = {2008.03.17} } @CONFERENCE{KannanSpectral00, author = {R. Kannan and S. Vempala}, title = {On clusterings - good, bad and spectral}, booktitle = {Proc. Symp. Found. Comp. Sci.}, year = {2000}, pages = {367 - 377} } @ARTICLE{KansyHIA98, author = {M. Kansy and F. Senner and K. 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Rousseeuw}, address = {New York}, owner = {froehlih}, timestamp = {2007.02.07} } @ARTICLE{Kersey2004IPI, author = {D. Kersey and J. Duarte and A. Williams and Y. Karavidopoulou and E. Birney and R. Apweiler}, title = {{The International Protein Index: an integrated database for proteomics experiments}}, journal = {Proteomics}, year = {2004}, volume = {4}, pages = {1985 - 1988}, number = {7}, owner = {froehlih}, timestamp = {2008.03.17} } @ARTICLE{KimWahba71, author = {G. Kimeldorf and G. Wahba}, title = {Some results on Tchebycheffian spline functions}, journal = {J. Math. Anal. and Appl.}, year = {1971}, volume = {33}, pages = {82 - 95} } @CONFERENCE{KirRen92, author = {K. Kira and L. Rendell}, title = {{A practical approach to feature selection}}, booktitle = {Proc. Int. Conf. Machine Learning}, year = {1992}, pages = {249 - 256} } @ARTICLE{Kirkpatrick1983SimAnn, author = {S. Kirkpatrick and C. D. Gelatt and M. P. Vecchi}, title = {Optimization by Simulated Annealing}, journal = {Science}, year = {1983}, volume = {220}, pages = {671 - 680}, number = {4598}, owner = {froehlih}, timestamp = {2006.11.28} } @ARTICLE{Kohavi97, author = {R. Kohavi and G. John}, title = {{Wrappers for Feature Subset Selection}}, journal = {Artificial Intelligence}, year = {1997}, volume = {97}, pages = {273 - 324}, number = {12} } @BOOK{KohonenSOMs1995, title = {Self Organizing Maps}, publisher = {Springer}, year = {1995}, author = {T. Kohonen}, address = {Berlin}, owner = {froehlih}, timestamp = {2006.10.26} } @CONFERENCE{Kononenko94, author = {I. Kononenko}, title = {{Estimating attributes: Analysis and extensions of RELIEF}}, booktitle = {Proc. Europ. Conf. Machine Learning}, year = {1994}, pages = {171 - 182} } @ARTICLE{KonHon97, author = {I. Kononenko and S. J. Hong}, title = {{Attribute Selection for Modeling}}, journal = {Future Generation Computer Systems}, year = {1997}, volume = {13}, pages = {181 - 195}, number = {2 - 3} } @CONFERENCE{KrishnaJCFO003, author = {B. Krishnapuram and L. Carin and A. Hartemink}, title = {Joint classifier and feature optimization for cancer diagnosis using gene expression data}, booktitle = {Proc. An. Int. Conf. Research in computational molecular biology}, year = {2003}, pages = {167 - 175}, publisher = {ACM Press, NY} } @INPROCEEDINGS{kruskal56, author = {Kruskal, J.B}, title = {On the shortest spanning subtree of a graph and the travelling salesman problem}, booktitle = {Proc. Amer. Math. Soc.}, year = {1956}, volume = {7}, pages = {48-50}, groupsearch = {0}, keywords = {minimum spanning trees} } @CONFERENCE{KubinyiReview04, author = {H. Kubinyi}, title = {Changing Paradigms in Drug Discovery}, booktitle = {Proc. Int. Beilstein Workshop}, year = {2004}, editor = {M. Hicks et al.}, pages = {51 - 72}, address = {Berlin}, publisher = {Logos-Verlag} } @ARTICLE{KubinyiDrugResearch03, author = {H. Kubinyi}, title = {{Drug research: myths, hype and reality}}, journal = {Nature Reviews: Drug Discovery}, year = {2003}, volume = {2}, pages = {665-668}, file = {kub03.pdf:kub03.pdf:PDF}, groupsearch = {0}, url = {http://home.t-online.de/home/kubinyi/nrdd-pub-08-03.pdf} } @ARTICLE{KubinyiQSARHistory02, author = {H. Kubinyi}, title = {{F}rom {N}arcosis to {H}yperspace: {T}he {H}istory of {QSAR}}, journal = {Quant. Struct. Act. Relat.}, year = {2002}, volume = {21}, pages = {348-356}, file = {kub02.pdf:kub02.pdf:PDF}, groupsearch = {0} } @ARTICLE{KuhnMunkres55, author = {H. Kuhn}, title = {The Hungarian Method for the Assignment Problem}, journal = {Naval Res. Logist. Quart.}, year = {1955}, volume = {2}, pages = {83 - 97} } @CONFERENCE{KKTTheorem51, author = {H. Kuhn and A. Tucker}, title = {Nonlinear programming}, booktitle = {Proc. 2nd Berkely Symposium on Mathematical Statistics and Probabilistics}, year = {1951}, pages = {481 - 492}, address = {Berkley}, publisher = {University of California Press} } @INPROCEEDINGS{kurhekar02, author = {Kurhekar, M.P. and Adak, S. and Jhunjhunwala, S. and Raghupathy, K.}, title = {Genome-wide pathway analysis and visulization using gene expression data}, booktitle = {Proceedings of the Pacific Symposium on Biocomputing}, year = {2002}, pages = {462-473}, groupsearch = {0}, keywords = {pathway scoring methods} } @ARTICLE{KwokEvidenceFrameWorkSVM00, author = {J. Kwok}, title = {The Evidence Framework Applied to Support Vector Machines}, journal = {IEEE Transactions on Neural Networks}, year = {2000}, volume = {11}, pages = {1162 - 1173}, number = {5} } @ARTICLE{laiKCCA00, author = {P. Lai and C. Fyfe}, title = {Kernel and nonlinear canonical correlation analysis}, journal = {Int. Journal of Neural Systems}, year = {2000}, volume = {10}, pages = {365 - 377}, number = {5} } @ARTICLE{Cris04, author = {G. Lanckriet and N. Cristianini and P. Bartlett and L. El Ghaoui and M. Jordan}, title = {Learning the Kernel Matrix with Semidefinite Programming}, journal = {J. Machine Learning Research}, year = {2004}, volume = {5}, pages = {27 - 72} } @ARTICLE{LangeStability, author = {Tilman Lange and Volker Roth and Mikio L. Braun and Joachim M. Buhmann}, title = {Stability-based validation of clustering solutions}, journal = {Neural Computation}, year = {2004}, volume = {16}, pages = {1299--1323}, number = {6}, doi = {http://dx.doi.org/10.1162/089976604773717621}, issn = {0899-7667}, publisher = {MIT Press} } @CONFERENCE{KwokBayesianSVR01, author = {M. Law and J. Kwok}, title = {Bayesian Support Vector Regression}, booktitle = {Proc. 11th Int. Workshop on AI and Statistics (AISTATS 2001)}, year = {2001}, pages = {239 - 244} } @ARTICLE{Le2005, author = {Xiao-Feng Le and Franz Pruefer and Robert C Bast}, title = {HER2-targeting antibodies modulate the cyclin-dependent kinase inhibitor p27Kip1 via multiple signaling pathways.}, journal = {Cell Cycle}, year = {2005}, volume = {4}, pages = {87--95}, number = {1}, month = {Jan}, abstract = {Anti-HER2 antibody trastuzumab is emerging as a frontline therapy for patients with metastatic breast cancers that overexpress HER2. Understanding the molecular mechanisms by which the antibody inhibits tumor growth should permit the design of even more effective trastuzumab-based protocols. Several groups including our own have demonstrated that induction of cyclin-dependent kinase (CDK) inhibitor p27Kip1 protein is one of the key mechanisms of action of HER2-targeting antibodies. In this review, we discuss currently available data regarding the multiple signaling targets and pathways by which HER2-targeting antibodies upregulate p27Kip1 protein in breast cancer cells that overexpress HER2. Anti-HER2 antibodies inhibit HER2-mediated signaling in cancer cells, ultimately upregulating the levels and activity of p27Kip1 protein. At least six signaling targets and pathways are modulated by trastuzumab. By inhibiting CDK2 and decreasing Thr187 phosphorylation of p27Kip1, trastuzumab abrogates targeting of SCF-ubiquitin E3 ligase and minimizes proteasome degradation of p27Kip1. By inhibiting AKT and human kinase interacting stathmin (hKIS), trastuzumab blocks Thr157-, Thr198- and Ser10-induced p27Kip1 translocation from the nucleus to the cytosol, which increases the inhibitory effect of p27Kip1. By inhibiting Jun activation domain-binding protein 1 (Jab1) trastuzumab increases nuclear retention of p27Kip1. By inhibiting cyclin D and c-Myc, trastuzumab releases the sequestrated p27bKip1 protein from cyclin D-CDK4/6 complexes and increase the effect of p27Kip1 on CDK2-cyclin E complexes. By stimulating minibrain related kinase (MIRK), trastuzumab stabilizes p27Kip1 in the nucleus, which increases inhibitory action of p27Kip1 on CDK2. The targets and pathways affected by trastuzumab work in concert to maximize the expression and inhibitory effect of p27Kip1, which leads to cell cycle G1 arrest and growth inhibition.}, institution = {Department of Experimental Therapeutics, Division of Cancer Medicine, University of Texas M.D. Anderson Cancer Center, Houston, Texas, USA.}, keywords = {Antibodies, Monoclonal; Breast Neoplasms; Cell Cycle; Cyclin-Dependent Kinase Inhibitor p27; Cyclin-Dependent Kinases; Cyclins; Gene Expression Regulation, Neoplastic; Humans; Mitogen-Activated Protein Kinases; Phosphorylation; Protein-Serine-Threonine Kinases; Protein-Tyrosine Kinases; Proto-Oncogene Proteins c-myc; Receptor, erbB-2; Signal Transduction; Transcription Factors; Up-Regulation}, owner = {holger}, pii = {1360}, pmid = {15611642}, timestamp = {2008.11.01} } @ARTICLE{Lee1999NMF, author = {Daniel D. Lee and H. Sebastian Seung}, title = {Learning the parts of objects by non-negative matrix factorization}, journal = {Nature}, year = {1999}, volume = {401}, pages = {788 - 791}, number = {6755}, owner = {froehlih}, timestamp = {2008.01.10} } @ARTICLE{lee04, author = {S. Lee and J. Hur and Y. Kim}, title = {A graph-theoretic modeling on GO space for biological interpretation on gene clusters}, journal = {Bioinformatics}, year = {2004}, volume = {20}, pages = {381-388}, number = {3}, doi = {10.1093/bioinformatics/btg420} } @ARTICLE{lenhard01genelynx, author = {B. Lenhard and W.S. Hayes and W.W. Wassermann}, title = {{G}ene{L}ynx: A Gene-Centric Portal to the Human Genome}, journal = {Genome Research}, year = {2001}, volume = {11}, pages = {2151-2157}, number = {12}, month = {December} } @ARTICLE{Lerman2007ManifoldEmbedding, author = {Gilad Lerman and Boris E Shakhnovich}, title = {Defining functional distance using manifold embeddings of gene ontology annotations.}, journal = {Proc Natl Acad Sci U S A}, year = {2007}, volume = {104}, pages = {11334--11339}, number = {27}, month = {Jul}, abstract = {Although rigorous measures of similarity for sequence and structure are now well established, the problem of defining functional relationships has been particularly daunting. Here, we present several manifold embedding techniques to compute distances between Gene Ontology (GO) functional annotations and consequently estimate functional distances between protein domains. To evaluate accuracy, we correlate the functional distance to the well established measures of sequence, structural, and phylogenetic similarities. Finally, we show that manual classification of structures into folds and superfamilies is mirrored by proximity in the newly defined function space. We show how functional distances place structure-function relationships in biological context resulting in insight into divergent and convergent evolution. The methods and results in this paper can be readily generalized and applied to a wide array of biologically relevant investigations, such as accuracy of annotation transference, the relationship between sequence, structure, and function, or coherence of expression modules.}, doi = {10.1073/pnas.0702965104}, keywords = {Evolution, Molecular; Models, Genetic; Protein Structure, Tertiary; Proteins; Sequence Homology, Amino Acid; Sequence Homology, Nucleic Acid; Structure-Activity Relationship}, owner = {froehlih}, pii = {0702965104}, pmid = {17595300}, timestamp = {2008.08.21}, url = {http://dx.doi.org/10.1073/pnas.0702965104} } @INCOLLECTION{LeslieStringKernels04, author = {C. Leslie and R. Kuang and E. Eskin}, title = {Inexact Matching String Kernels for Protein Classification}, booktitle = {Kernel Methods in Computational Biology}, publisher = {MIT Press}, year = {2004}, editor = {B. Sch\"olkopf and K. Tsuda and J.-P. Vert}, pages = {95 - 112}, address = {Cambridge, MA} } @ARTICLE{Liao2004localFDR, author = {J. Liao and Y. Lin and Z. Selvanayagam and W. Shih}, title = {A mixture model for estimating the local false discovery rate in DNA microarray analysis}, journal = {Bioinformatics}, year = {2004}, volume = {20}, pages = {2694 - 2701}, number = {16}, owner = {froehlih}, timestamp = {2007.02.02} } @INPROCEEDINGS{Lin98, author = {D. Lin}, title = {An information-theoretic definition of similarity}, booktitle = {Proceedings of the 15th International Conference on Machine Learning}, year = {1998}, editor = {Morgan Kaufmann}, volume = {1}, pages = {296-304}, address = {San Francisco, CA}, groupsearch = {0}, keywords = {semantic distances} } @ARTICLE{LipRule97, author = {C. Lipinski and F. Lombardo and B. Dominy and P. Feeney}, title = {Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings}, journal = {Adv. Drug Deliv. Rev.}, year = {1997}, volume = {23}, pages = {3 - 26} } @BOOK{Ljung1999SystemIdentification, title = {System Identification - Theory for the User}, publisher = {Prentice Hall}, year = {1999}, author = {L. Ljung}, owner = {froehlih}, timestamp = {2008.02.19} } @INPROCEEDINGS{Lord03, author = {Lord, P.W. and Stevens, R.D. and Brass, A. and Goble, C.A.}, title = {Semantic Similarity Measures as Tools for Exploring the Gene Ontology}, booktitle = {Proceedings of the Pacific Symposium on Biocomputing}, year = {2003}, pages = {601-612}, groupsearch = {0}, keywords = {semantic distances} } @ARTICLE{Lord02, author = {Lord, P.W. and Stevens, R.D. and Brass, A. and Goble, C.A.}, title = {Semantic Similarity Measures across the Gene Ontology: the relationship between sequence and annotation}, journal = {Bioinformatics}, year = {2002}, volume = {19}, pages = {1275-1283}, groupsearch = {0}, keywords = {semantic distances} } @ARTICLE{AlexanderVLukashin05012001SimAnn, author = {Lukashin, Alexander V. and Fuchs, Rainer}, title = {{Analysis of temporal gene expression profiles: clustering by simulated annealing and determining the optimal number of clusters}}, journal = {Bioinformatics}, year = {2001}, volume = {17}, pages = {405-414}, number = {5}, abstract = {Motivation: Cluster analysis of genome-wide expression data from DNA microarray hybridization studies has proved to be a useful tool for identifying biologically relevant groupings of genes and samples. In the present paper, we focus on several important issues related to clustering algorithms that have not yet been fully studied. Results: We describe a simple and robust algorithm for the clustering of temporal gene expression profiles that is based on the simulated annealing procedure. In general, this algorithm guarantees to eventually find the globally optimal distribution of genes over clusters. We introduce an iterative scheme that serves to evaluate quantitatively the optimal number of clusters for each specific data set. The scheme is based on standard approaches used in regular statistical tests. The basic idea is to organize the search of the optimal number of clusters simultaneously with the optimization of the distribution of genes over clusters. The efficiency of the proposed algorithm has been evaluated by means of a reverse engineering experiment, that is, a situation in which the correct distribution of genes over clusters is known a priori. The employment of this statistically rigorous test has shown that our algorithm places greater than 90% genes into correct clusters. Finally, the algorithm has been tested on real gene expression data (expression changes during yeast cell cycle) for which the fundamental patterns of gene expression and the assignment of genes to clusters are well understood from numerous previous studies. Availability: The source code of the program implementing the algorithm is available upon request from the authors. Contact: alex_lukashin@biogen.com}, doi = {10.1093/bioinformatics/17.5.405}, eprint = {http://bioinformatics.oxfordjournals.org/cgi/reprint/17/5/405.pdf}, url = {http://bioinformatics.oxfordjournals.org/cgi/content/abstract/17/5/405} } @ARTICLE{LuxCompression04, author = {U. Luxburg and O. Bousquet and B. Sch\"olkopf}, title = {A Compression Approach to Support Vector Model Selection}, journal = {J. Machine Learning Research}, year = {2004}, volume = {5}, pages = {293 - 323} } @ARTICLE{Lahdesmaki2003LearningBooleanNetworks, author = {H. L{\"a}hdesm{\"a}ki and I. Shmulevich and O. Yli-Harja}, title = {{On Learning Gene Regulatory Networks Under the Boolean Network Model}}, journal = {Machine Learning}, year = {2003}, volume = {52}, pages = {147 - 167}, file = {:http\://shmulevich.systemsbiology.net/downloads/BNLearnML.pdf:PDF}, owner = {holger}, timestamp = {2009.01.18} } @INPROCEEDINGS{yalmip, author = {J. L{\"o}fberg}, title = {{YALMIP} : A Toolbox for Modeling and Optimization in {MATLAB}}, booktitle = {Proceedings of the {CACSD} Conference}, year = {2004}, address = {Taipei, Taiwan}, note = {Available from http://control.ee.ethz.ch/$\sim$joloef/yalmip.php} } @ARTICLE{Loebke2008, author = {Christian L�bke and Mark Laible and Claudia Rappl and Markus Ruschhaupt and Ozg�r Sahin and Dorit Arlt and Stefan Wiemann and Annemarie Poustka and Holger S�ltmann and Ulrike Korf}, title = {Contact spotting of protein microarrays coupled with spike-in of normalizer protein permits time-resolved analysis of ERBB receptor signaling.}, journal = {Proteomics}, year = {2008}, volume = {8}, pages = {1586--1594}, number = {8}, month = {Apr}, abstract = {Protein microarrays allow highly accurate comparison and quantification of numerous biological samples in parallel while requiring only little material. This qualifies protein arrays for systems biology and clinical research where only limited sample material is available, but a precise readout is required. With the introduction of signal normalization steps to monitor the drop size of manually contact-spotted RP protein arrays, the usefulness of normalizer proteins to ensure a high-throughput but inexpensive protein analysis was demonstrated. This approach was applied for the analysis of signaling through ERBB receptor activated kinases in the breast cancer cell line MCF-7. Activation of ERK1/2 and AKT by ERBB1 (EGFR), ERRB2 (HER2/neu), and ERBB3-4 was monitored in a time-resolved manner. Analysis of pathway activation by stimulation with epidermal growth factor and heregulin, or inhibition by blocking with gefitinib or herceptin allowed a characterization of the distinct signaling properties of the different ERBB receptor subtypes.}, doi = {10.1002/pmic.200700733}, keywords = {Antibodies, Monoclonal; Breast Neoplasms; Epidermal Growth Factor; Glutathione Transferase; Humans; Mitogen-Activated Protein Kinase 1; Mitogen-Activated Protein Kinase 3; Protein Array Analysis; Proto-Oncogene Proteins c-akt; Quinazolines; Receptor, Epidermal Growth Factor; Receptor, erbB-2; Recombinant Fusion Proteins; Reference Standards; Signal Transduction; Tumor Cells, Cultured}, owner = {froehlih}, pmid = {18351692}, timestamp = {2008.10.23}, url = {http://dx.doi.org/10.1002/pmic.200700733} } @CONFERENCE{MacKayGP97, author = {D. MacKay}, title = {{Gaussian Processes - A Replacement for Supervised Neural Networks?}}, booktitle = {Proc. Neural Inf. Proc. Syst.}, year = {1997}, note = {Lecture note} } @ARTICLE{MacKayEvidence92, author = {D. MacKay}, title = {{The Evidence Framework Applied to Classification Networks}}, journal = {Neural Computation}, year = {1992}, volume = {4}, pages = {720 - 736}, number = {5} } @INCOLLECTION{MaggioraChemSim04, author = {G. Maggiora and V. Shanmugasundaram}, title = {Molecular Similarity Measures}, booktitle = {Chemoinformatics}, publisher = {Humana Press}, year = {2004}, editor = {J. Bajorath}, pages = {1 - 50} } @ARTICLE{Maglott2007Entrez, author = {D. Maglott and J. Ostell and K. Pruitt and T. Tatusova}, title = {{Entrez: Gene-Centered Informaiton at NCBI}}, journal = {Nucleic Acids Res.}, year = {2007}, volume = {35}, pages = {D26 - D31}, owner = {froehlih}, timestamp = {2008.03.17} } @INCOLLECTION{Waterbeemd03BookBioavail, author = {A. Mandagere and B. Jones}, title = {Prediction of Bioavailability}, booktitle = {Drug Bioavailability}, publisher = {Wiley-VCH}, year = {2003}, editor = {H. van de Waterbeemd and H. Lennern\"as and P. Artursson}, pages = {444 - 460}, address = {Weinheim} } @PHDTHESIS{Markowetz2006Thesis, author = {F. Markowetz}, title = {Probabilistic Models for Gene Silencing Data}, school = {Free University Berlin}, year = {2006}, owner = {froehlih}, timestamp = {2007.09.24} } @ARTICLE{Markowetz2005Inference, author = {F. Markowetz and J. Bloch and R. Spang}, title = {Non-transcriptional pathway features reconstructed from secondary effects of RNA interference}, journal = {Bioinformatics}, year = {2005}, volume = {21}, pages = {4026 - 4032}, number = {21}, owner = {froehlih}, timestamp = {2006.11.28} } @ARTICLE{Markowetz2007, author = {F. Markowetz and D. Kostka and O. Troyanskaya and R. Spang}, title = {Nested Effects Models for High-dimensional Phenotyping Screens}, journal = {Bioinformatics}, year = {2007}, volume = {23}, pages = {i305 - i312}, file = {MarkowetzISMB07.pdf:/home/froehlih/Papers/Artikel/MarkowetzISMB07.pdf:PDF}, owner = {froehlih}, timestamp = {2006.11.28} } @INCOLLECTION{Markowetz2003BayesNet, author = {F. Markowetz and R. Spang}, title = {{Evaluating the Effect of Perturbations in Reconstructing Network Topologies}}, booktitle = {Proc. 3rd Int. Workshop on Distr. Stat. Comp. (DSC 2003)}, year = {2003}, __markedentry = {[froehlih]}, owner = {froehlih}, timestamp = {2008.02.18} } @INCOLLECTION{martinPharamcophore98, author = {Y. Martin}, title = {{P}harmacophore mapping}, booktitle = {Designing Bioactive Molecules}, publisher = {Oxford University Press}, year = {1998}, editor = {Y. Martin and P. Willett}, pages = {121--148} } @ARTICLE{MartinSim02, author = {Y. Martin and J. Kofron and L. Traphagen}, title = {Do Structurally Similar Molecules Have Similar Biological Activity?}, journal = {J. Med. Chem.}, year = {2002}, volume = {45}, pages = {4350 - 4358} } @BOOK{LEDABook99, title = {{The LEDA Platform of Combinatorial and Geometric Computing}}, publisher = {Cambridge University Press}, year = {1999}, author = {K. Mehlhorn and S. N\"aher} } @CONFERENCE{meila00learning, author = {M. Meila and J. Shi}, title = {Learning segmentation by random walks}, booktitle = {Adv. Neural Inf. Proc. Syst. 13}, year = {2001}, pages = {873-879} } @ARTICLE{meila01random, author = {M. Meila and J. Shi}, title = {A random walks view of spectral segmentation}, journal = {AI and Statistics (AISTATS)}, year = {2001} } @ARTICLE{Melvin2007HierClassif, author = {I. Melvin and E. Ie and J. Weston and W. Noble and C. Leslie}, title = {{Multi-class Protein Classification Using Adaptive Codes}}, journal = {J. Machine Learning Research}, year = {2007}, volume = {8}, pages = {1557 - 1581}, owner = {froehlih}, timestamp = {2008.03.31} } @ARTICLE{Mercer09, author = {J. Mercer}, title = {Functions of positive and negative type and their connection with the theory of integral equations}, journal = {Philosophical Transactions of the Royal Society}, year = {1909}, volume = {A 209}, pages = {415 - 446} } @BOOK{michalewicz96, title = {Genetic Algorithms + Data Structures = Evolution Programs}, publisher = {Springer, Berlin}, year = {1996}, author = {Michalewicz, Z.}, groupsearch = {0}, keywords = {algorithmic books evolutionary algorithms} } @ARTICLE{Mistry2008GOFuncSim, author = {Meeta Mistry and Paul Pavlidis}, title = {Gene Ontology term overlap as a measure of gene functional similarity.}, journal = {BMC Bioinformatics}, year = {2008}, volume = {9}, pages = {327}, abstract = {BACKGROUND: The availability of various high-throughput experimental and computational methods allows biologists to rapidly infer functional relationships between genes. It is often necessary to evaluate these predictions computationally, a task that requires a reference database for functional relatedness. One such reference is the Gene Ontology (GO). A number of groups have suggested that the semantic similarity of the GO annotations of genes can serve as a proxy for functional relatedness. Here we evaluate a simple measure of semantic similarity, term overlap (TO). RESULTS: We computed the TO for randomly selected gene pairs from the mouse genome. For comparison, we implemented six previously reported semantic similarity measures that share the feature of using computation of probabilities of terms to infer information content, in addition to three vector based approaches and a normalized version of the TO measure. We find that the overlap measure is highly correlated with the others but differs in detail. TO is at least as good a predictor of sequence similarity as the other measures. We further show that term overlap may avoid some problems that affect the probability-based measures. Term overlap is also much faster to compute than the information content-based measures. CONCLUSION: Our experiments suggest that term overlap can serve as a simple and fast alternative to other approaches which use explicit information content estimation or require complex pre-calculations, while also avoiding problems that some other measures may encounter.}, doi = {10.1186/1471-2105-9-327}, owner = {froehlih}, pii = {1471-2105-9-327}, pmid = {18680592}, timestamp = {2008.08.22}, url = {http://dx.doi.org/10.1186/1471-2105-9-327} } @ARTICLE{Mitra04ActiveLearningSVM, author = {P. Mitra and C. Murphy and S. Pal}, title = {A probabilistic active support vector learning algorithm}, journal = {Pattern Analysis and Machine Intelligence, IEEE Transactions on}, year = {2004}, volume = {26}, pages = {413 - 418}, number = {3} } @CONFERENCE{BennetPatternSearch02, author = {M. Momma and K. Bennett}, title = {A Pattern Search Method for Model Selection of Support Vector Regression}, booktitle = {SIAM Conf. on Data Mining}, year = {2002} } @ARTICLE{Moser1999FST, author = {Moser, P.C. and Sanger, D.J.}, title = {{5-HT1A receptor antagonists neither potentiate nor inhibit the effects of fluoxetine and befloxatone in forced swim test in rats}}, journal = {Eur. J. Pharmacol.}, year = {1999}, volume = {372}, pages = {127-134}, owner = {froehlih}, timestamp = {2006.07.13} } @ARTICLE{Mukherjee2009, author = {Sach Mukherjee and Steven Pelech and Richard M Neve and Wen-Lin Kuo and Safiyyah Ziyad and Paul T Spellman and Joe W Gray and Terence P Speed}, title = {Sparse combinatorial inference with an application in cancer biology.}, journal = {Bioinformatics}, year = {2009}, volume = {25}, pages = {265--271}, number = {2}, month = {Jan}, abstract = {MOTIVATION: Combinatorial effects, in which several variables jointly influence an output or response, play an important role in biological systems. In many settings, Boolean functions provide a natural way to describe such influences. However, biochemical data using which we may wish to characterize such influences are usually subject to much variability. Furthermore, in high-throughput biological settings Boolean relationships of interest are very often sparse, in the sense of being embedded in an overall dataset of higher dimensionality. This motivates a need for statistical methods capable of making inferences regarding Boolean functions under conditions of noise and sparsity. RESULTS: We put forward a statistical model for sparse, noisy Boolean functions and methods for inference under the model. We focus on the case in which the form of the underlying Boolean function, as well as the number and identity of its inputs are all unknown. We present results on synthetic data and on a study of signalling proteins in cancer biology.}, doi = {10.1093/bioinformatics/btn611}, institution = {Department of Statistics, University of Warwick, Coventry, UK. s.n.mukherjee@warwick.ac.uk}, owner = {holger}, pii = {btn611}, pmid = {19038985}, timestamp = {2009.01.18}, url = {http://dx.doi.org/10.1093/bioinformatics/btn611} } @ARTICLE{Mulder2008InterPro, author = {Nicola J. Mulder and Rolf Apweiler and Teresa K. Attwood and Amos Bairoch and Alex Bateman and David Binns and Peer Bork and Virginie Buillard and Lorenzo Cerutti and Richard Copley and Emmanuel Courcelle and Ujjwal Das and Louise Daugherty and Mark Dibley and Robert Finn and Wolfgang Fleischmann and Julian Gough and Daniel Haft and Nicolas Hulo and Sarah Hunter and Daniel Kahn and Alexander Kanapin and Anish Kejariwal and Alberto Labarga and Petra S. Langendijk-Genevaux and David Lonsdale and Rodrigo Lopez and Ivica Letunic and Martin Madera and John Maslen and Craig McAnulla and Jennifer McDowall and Jaina Mistry and Alex Mitchell and Anastasia N. Nikolskaya and Sandra Orchard and Christine Orengoa nd Robert Petryszak and Jeremy D. Selengut and Christian J. A. Sigrist and Paul D. Thomas and Franck Valentina nd Derek Wilson and Cathy H. Wu and Corin Yeats}, title = {{New developments in the InterPro database}}, journal = {Nucleic Acids Res.}, year = {2008}, volume = {35}, pages = {D224 - D228}, owner = {froehlih}, timestamp = {2008.03.17} } @CONFERENCE{Muslea02SemiActive, author = {I. Muslea and S. Minton and C. Knoblock}, title = {Active + semi-supervised learning = robust multi-view learning}, booktitle = {Proc. 19th Int. Conf. Machine Learning}, year = {2002}, pages = {435 - 442} } @CONFERENCE{NadBen00, author = {C. Nadeau and Y. Bengio}, title = {{Inference for the Generalization Error}}, booktitle = {Adv. Neural Inf. Proc. Syst. 12}, year = {2000}, editor = {S. Solla and T. Leen and K.-R. M\"uller}, address = {Cambridge, MA}, publisher = {MIT Press} } @ARTICLE{Nahta2004, author = {Rita Nahta and Takeshi Takahashi and Naoto T Ueno and Mien-Chie Hung and Francisco J Esteva}, title = {P27(kip1) down-regulation is associated with trastuzumab resistance in breast cancer cells.}, journal = {Cancer Res}, year = {2004}, volume = {64}, pages = {3981--3986}, number = {11}, month = {Jun}, abstract = {Trastuzumab (Herceptin) is a recombinant humanized monoclonal antibody directed against HER-2. The objective response rate to trastuzumab monotherapy is 12-34\% for a median duration of 9 months, by which point most patients become resistant to treatment. We created two trastuzumab-resistant (TR) pools from the SKBR3 HER-2-overexpressing breast cancer cell line to study the mechanisms by which breast cancer cells escape trastuzumab-mediated growth inhibition. Both pools maintained her-2 gene amplification and protein overexpression. Resistant cells demonstrated a higher S-phase fraction by flow cytometry and a faster doubling time of 24-36 h compared with 72 h for parental cells. The cyclin-dependent kinase inhibitor p27(kip1) was decreased in TR cells, and cyclin-dependent kinase 2 activity was increased. Importantly, exogenous addition of p27(kip1) increased trastuzumab sensitivity. Additionally, resistant cells displayed heightened sensitivity to the proteasome inhibitor MG132, which induced p27(kip1) expression. Thus, we propose that trastuzumab resistance may be associated with decreased p27(kip1) levels and may be susceptible to treatments that induce p27(kip1) expression.}, doi = {10.1158/0008-5472.CAN-03-3900}, institution = {Department of Breast Medical Oncology, The University of Texas MD Anderson Cancer Center, Houston, Texas 77030-4009, USA.}, keywords = {Antibodies, Monoclonal; Antineoplastic Agents; Breast Neoplasms; CDC2-CDC28 Kinases; Cell Cycle Proteins; Cell Division; Cell Line, Tumor; Cyclin-Dependent Kinase 2; Cyclin-Dependent Kinase Inhibitor p27; Down-Regulation; Drug Resistance, Neoplasm; Gene Expression Regulation, Neoplastic; Humans; Tumor Suppressor Proteins}, owner = {holger}, pii = {64/11/3981}, pmid = {15173011}, timestamp = {2008.11.01}, url = {http://dx.doi.org/10.1158/0008-5472.CAN-03-3900} } @ARTICLE{Nelander2008, author = {Sven Nelander and Weiqing Wang and Bj�rn Nilsson and Qing-Bai She and Christine Pratilas and Neal Rosen and Peter Gennemark and Chris Sander}, title = {Models from experiments: combinatorial drug perturbations of cancer cells.}, journal = {Mol Syst Biol}, year = {2008}, volume = {4}, pages = {216}, abstract = {We present a novel method for deriving network models from molecular profiles of perturbed cellular systems. The network models aim to predict quantitative outcomes of combinatorial perturbations, such as drug pair treatments or multiple genetic alterations. Mathematically, we represent the system by a set of nodes, representing molecular concentrations or cellular processes, a perturbation vector and an interaction matrix. After perturbation, the system evolves in time according to differential equations with built-in nonlinearity, similar to Hopfield networks, capable of representing epistasis and saturation effects. For a particular set of experiments, we derive the interaction matrix by minimizing a composite error function, aiming at accuracy of prediction and simplicity of network structure. To evaluate the predictive potential of the method, we performed 21 drug pair treatment experiments in a human breast cancer cell line (MCF7) with observation of phospho-proteins and cell cycle markers. The best derived network model rediscovered known interactions and contained interesting predictions. Possible applications include the discovery of regulatory interactions, the design of targeted combination therapies and the engineering of molecular biological networks.}, doi = {10.1038/msb.2008.53}, institution = {Computational Biology center, Memorial Sloan-Kettering Cancer Center, New York, NY, USA. multiple-perturbation@cbio.mskcc.org}, keywords = {Breast Neoplasms; Cell Cycle; Cell Line, Tumor; Female; Humans; Models, Theoretical; Pharmaceutical Preparations; Phosphoproteins; Systems Biology}, owner = {holger}, pii = {msb200853}, pmid = {18766176}, timestamp = {2009.01.18}, url = {http://dx.doi.org/10.1038/msb.2008.53} } @CONFERENCE{ng01spectral, author = {A. Ng and M. Jordan and Y. Weiss}, title = {On spectral clustering: Analysis and an algorithm}, booktitle = {Adv. Neural Inf. Proc. Syst. 14}, year = {2002} } @ARTICLE{nieselt97, author = {Nieselt-Struwe, Katja}, title = {Graphs in Sequence Spaces: a Review of Statistical Geometry}, journal = {Biophysical Chemistry}, year = {1997}, volume = {66}, pages = {111-131} } @ARTICLE{Nik03, author = {N. Nikolova and J. Jaworska}, title = {{Approaches to Measure Chemical Similarity - a Review}}, journal = {QSAR \& Combinatorial Science}, year = {2003}, volume = {22}, number = {9-10} } @INCOLLECTION{Waterbeemd03BookSolub, author = {U. Norinder and M. Haeberlein}, title = {Calculated Molecular Properties and Multivariate Statistical Analysis in Absorption Prediction}, booktitle = {Drug Bioavailability}, publisher = {Wiley-VCH}, year = {2003}, editor = {H. van de Waterbeemd and H. Lennern\"as and P. Artursson}, pages = {358 - 405}, address = {Weinheim} } @CONFERENCE{Ong04IndefKernels, author = {C. Soon Ong and X. Mary and S. Canu and A. Smola}, title = {{Learning with Non-Positive Kernels}}, booktitle = {Proc. Int. Conf. Machine Learning}, year = {2004} } @ARTICLE{OpreaPharmaMapping02, author = {T. I. Oprea and I. Zamora and A.--L. Ungell}, title = {Pharmacokinetically Based Mapping Device for Chemical Space Navigation}, journal = {J. Comb. Chem.}, year = {2002}, volume = {4}, pages = {258--266} } @ARTICLE{PalmHIA97, author = {K. Palm and P. Stenburg and K. Luthman and P. Artursson}, title = {Polar Molecular Surface Properties Predict the Intestinal Absorption of Drugs in Humans}, journal = {Pharm. Res.}, year = {1997}, volume = {14}, pages = {586 - 571} } @ARTICLE{Park2005, author = {Kyeongmee Park and Keumhee Kwak and Jungyeon Kim and Sungjig Lim and Sehwan Han}, title = {c-myc amplification is associated with HER2 amplification and closely linked with cell proliferation in tissue microarray of nonselected breast cancers.}, journal = {Hum Pathol}, year = {2005}, volume = {36}, pages = {634--639}, number = {6}, month = {Jun}, abstract = {C-myc and HER2 amplification were analyzed on 214 consecutive breast cancers by fluorescence in situ hybridization using tissue microarray technology. The frequencies of amplification were 15.4\% (33/214) and 23.3\% (49/210), respectively. c- myc amplification was significantly associated with HER2 amplification ( P < .001) and closely linked with cell proliferative activity, measured by Ki67 labeling index ( P = .010). In univariate survival analysis, lymph node status, tumor size, and histological grade were significant prognostic factors, but in multivariate analysis, lymph node status was the only significant factor. Patient survival did not differ according to c- myc amplification status, and c- myc amplification showed no significant correlation with clinicopathologic features of the tumors. A strong correlation between c- myc and HER2 amplification and proliferative activity indicates a biological link between these genes in breast cancer cell.}, doi = {10.1016/j.humpath.2005.04.016}, institution = {Department of Pathology, Inje University Sanggye Paik Hospital, Seoul, South Korea.}, keywords = {Adult; Breast Neoplasms; Cell Proliferation; Disease-Free Survival; Female; Gene Amplification; Humans; Immunohistochemistry; In Situ Hybridization, Fluorescence; Lymphatic Metastasis; Middle Aged; Prognosis; Proto-Oncogene Proteins c-myc; Receptor, erbB-2; Survival Analysis}, owner = {holger}, pii = {S0046817705002303}, pmid = {16021569}, timestamp = {2008.11.01}, url = {http://dx.doi.org/10.1016/j.humpath.2005.04.016} } @CONFERENCE{PavWes01, author = {P. Pavlidis and J. Weston and J. Cai and W. Grundy}, title = {Gene functional classification from heteregoneous data}, booktitle = {Proc. 5th Int. Conf. Computational Molecular Biology}, year = {2001}, pages = {242 - 248} } @ARTICLE{Peer2001BayesNet, author = {Pe'er, D. and Regev, A. and Elidan, G. and Friedman, N.}, title = {Inferring subnetworks from perturbed expression profiles}, journal = {Bioinformatics}, year = {2001}, volume = {17}, pages = {S215 - S224}, number = {Suppl 1}, owner = {froehlih}, timestamp = {2008.02.18} } @ARTICLE{Peer06Minreg, author = {D. Pe'er and A. Tanay and A. Regev}, title = {{MinReg: A Scalable Algorithm for Learning Parsimonious Regulatory Networks in Yeast and Mammals}}, journal = {J. Machine Learning Research}, year = {2006}, volume = {7}, pages = {167 - 189} } @BOOK{Pearl2000Book, title = {Causality: Models, Reasoning and Inference}, publisher = {Cambridge University Press}, year = {2000}, author = {J. Pearl}, address = {Cambridge}, owner = {froehlih}, timestamp = {2008.02.18} } @CONFERENCE{Pearl1985, author = {J. Pearl}, title = {Bayesian Networks: A Model of Self-Activated Memory for Evidential Reasoning}, booktitle = {Proceedings of the 7th Conference of the Cognitive Science Society}, year = {1985}, pages = {329-334}, owner = {froehlih}, timestamp = {2008.10.02} } @ARTICLE{Pennisi2007GeneCount, author = {Elizabeth Pennisi}, title = {Genetics. Working the (gene count) numbers: finally, a firm answer?}, journal = {Science}, year = {2007}, volume = {316}, pages = {1113}, number = {5828}, month = {May}, doi = {10.1126/science.316.5828.1113a}, keywords = {Genome, Human; Humans; Open Reading Frames}, owner = {froehlih}, pii = {316/5828/1113a}, pmid = {17525311}, timestamp = {2008.04.23}, url = {http://dx.doi.org/10.1126/science.316.5828.1113a} } @BOOK{PiessensNumericIntegration1983, title = {Quadpack: a Subroutine Package for Automatic Integration}, publisher = {Springer}, year = {1983}, author = {R. Piessens and E. deDoncker-Kapenga and C. Uberhuber and D. Kahaner}, owner = {froehlih}, timestamp = {2007.04.13} } @ARTICLE{Pors77FST, author = {R. Porsolt and M. Le Pichon and M. Jalfre}, title = {A new animal model sensitive to antidepressant treatments}, journal = {Nature}, year = {1977}, volume = {266}, pages = {730 - 732} } @ARTICLE{Pounds2003localFDR, author = {S. Pounds and S. Morris}, title = {Estimating the occurence of false positives and false negatives in microarray studies by approximating and partitioning the empirical distribution of p-values}, journal = {Bioinformatics}, year = {2003}, volume = {19}, pages = {1236 - 1242}, number = {10}, owner = {froehlih}, timestamp = {2007.02.02} } @TECHREPORT{Poutre1987TransRed, author = {J. La Poutre and J. van Leeuwen}, title = {Maintenance of Transitive Closures and Transitive Reductions of Graphs}, institution = {Rijksuniversiteit Utrecht}, year = {1987}, number = {RUU-CS-87-25}, owner = {froehlih}, timestamp = {2006.11.30} } @ARTICLE{Pozo2008GOFuncSim, author = {Angela del Pozo and Florencio Pazos and Alfonso Valencia}, title = {Defining functional distances over gene ontology.}, journal = {BMC Bioinformatics}, year = {2008}, volume = {9}, pages = {50}, abstract = {BACKGROUND: A fundamental problem when trying to define the functional relationships between proteins is the difficulty in quantifying functional similarities, even when well-structured ontologies exist regarding the activity of proteins (i.e. 'gene ontology' -GO-). However, functional metrics can overcome the problems in the comparing and evaluating functional assignments and predictions. As a reference of proximity, previous approaches to compare GO terms considered linkage in terms of ontology weighted by a probability distribution that balances the non-uniform 'richness' of different parts of the Direct Acyclic Graph. Here, we have followed a different approach to quantify functional similarities between GO terms. RESULTS: We propose a new method to derive 'functional distances' between GO terms that is based on the simultaneous occurrence of terms in the same set of Interpro entries, instead of relying on the structure of the GO. The coincidence of GO terms reveals natural biological links between the GO functions and defines a distance model Df which fulfils the properties of a Metric Space. The distances obtained in this way can be represented as a hierarchical 'Functional Tree'. CONCLUSION: The method proposed provides a new definition of distance that enables the similarity between GO terms to be quantified. Additionally, the 'Functional Tree' defines groups with biological meaning enhancing its utility for protein function comparison and prediction. Finally, this approach could be for function-based protein searches in databases, and for analysing the gene clusters produced by DNA array experiments.}, doi = {10.1186/1471-2105-9-50}, keywords = {Algorithms; Amino Acid Sequence; Molecular Sequence Data; Multigene Family; Proteins; Sequence Alignment; Sequence Analysis, Protein}, owner = {froehlih}, pii = {1471-2105-9-50}, pmid = {18221506}, timestamp = {2008.08.21}, url = {http://dx.doi.org/10.1186/1471-2105-9-50} } @ARTICLE{prim57, author = {Prim, R.C.}, title = {Shortest connection networks and some generalizations}, journal = {Bell Sys. Tech. Journal}, year = {1957}, pages = {1389-1401}, groupsearch = {0}, keywords = {minimum spanning trees} } @ARTICLE{Proschak2007, author = {Ewgenij Proschak and J�rg K Wegner and Andreas Sch�ller and Gisbert Schneider and Uli Fechner}, title = {Molecular query language (MQL)--a context-free grammar for substructure matching.}, journal = {J Chem Inf Model}, year = {2007}, volume = {47}, pages = {295--301}, number = {2}, abstract = {We have developed a Java library for substructure matching that features easy-to-read syntax and extensibility. This molecular query language (MQL) is grounded on a context-free grammar, which allows for straightforward modification and extension. The formal description of MQL is provided in this paper. Molecule primitives are atoms, bonds, properties, branching, and rings. User-defined features can be added via a Java interface. In MQL, molecules are represented as graphs. Substructure matching was implemented using the Ullmann algorithm because of favorable run-time performance. The Ullmann algorithm carries out a fast subgraph isomorphism search by combining backtracking with effective forward checking. MQL software design was driven by the aim to facilitate the use of various cheminformatics toolkits. Two Java interfaces provide a bridge from our MQL package to an external toolkit: the first one provides the matching rules for every feature of a particular toolkit; the second one converts the found match from the internal format of MQL to the format of the external toolkit. We already implemented these interfaces for the Chemistry Development Toolkit.}, doi = {10.1021/ci600305h}, institution = {Johann Wolfgang Goethe-University, Institute of Organic Chemistry and Chemical Biology, Chair for Chem- and Bioinformatics, Siesmayerstrasse 70, D-60323 Frankfurt am Main, Germany. proschak@bioinformatik.uni-frankfurt.de}, keywords = {Algorithms; Computer Simulation; Models, Molecular; Molecular Structure; Pharmaceutical Preparations; Software Design}, owner = {froehlih}, pmid = {17381167}, timestamp = {2008.12.12}, url = {http://dx.doi.org/10.1021/ci600305h} } @ARTICLE{Pruitt2007RefSeq, author = {Kim D Pruitt and Tatiana Tatusova and Donna R Maglott}, title = {NCBI reference sequences (RefSeq): a curated non-redundant sequence database of genomes, transcripts and proteins.}, journal = {Nucleic Acids Res}, year = {2007}, volume = {35}, pages = {D61--D65}, number = {Database issue}, month = {Jan}, abstract = {NCBI's reference sequence (RefSeq) database (http://www.ncbi.nlm.nih.gov/RefSeq/) is a curated non-redundant collection of sequences representing genomes, transcripts and proteins. The database includes 3774 organisms spanning prokaryotes, eukaryotes and viruses, and has records for 2,879,860 proteins (RefSeq release 19). RefSeq records integrate information from multiple sources, when additional data are available from those sources and therefore represent a current description of the sequence and its features. Annotations include coding regions, conserved domains, tRNAs, sequence tagged sites (STS), variation, references, gene and protein product names, and database cross-references. Sequence is reviewed and features are added using a combined approach of collaboration and other input from the scientific community, prediction, propagation from GenBank and curation by NCBI staff. The format of all RefSeq records is validated, and an increasing number of tests are being applied to evaluate the quality of sequence and annotation, especially in the context of complete genomic sequence.}, doi = {10.1093/nar/gkl842}, keywords = {Amino Acid Sequence; Base Sequence; Databases, Nucleic Acid; Databases, Protein; Genome; Internet; National Library of Medicine (U.S.); Quality Control; RNA, Messenger; Reference Standards; Sequence Analysis, DNA; Sequence Analysis, Protein; Sequence Analysis, RNA; United States; User-Computer Interface}, owner = {froehlih}, pii = {gkl842}, pmid = {17130148}, timestamp = {2008.04.22}, url = {http://dx.doi.org/10.1093/nar/gkl842} } @ARTICLE{quackenbush01, author = {Quackenbush, J.}, title = {Computational analysis of microarray data}, journal = {Nature Reviews Genetics}, year = {2001}, volume = {2}, pages = {418-427}, groupsearch = {0}, keywords = {reviews} } @ARTICLE{QuinlanDecTree86, author = {J. Quinlan}, title = {Introduction of decision trees}, journal = {Machine Learning}, year = {1986}, volume = {1}, pages = {81 - 106} } @ARTICLE{Irizarry2003, author = {Irizarry RA and Bolstad BM and Collin F and Cope LM and Hobbs B and Speed TP}, title = {Summaries of Affymetrix GeneChip probe level data}, journal = {Nucleic Acids Res.}, year = {2003}, volume = {31}, pages = {e15}, number = {4}, owner = {froehlih}, timestamp = {2007.09.24} } @ARTICLE{Rada89, author = {Rada, R. and Mili, H. and Bicknell, E. and Bletner, M.}, title = {Development and Application of a Metric on Semantic Nets}, journal = {IEEE Transactions on Systems, Man, and Cybernetics}, year = {1989}, volume = {19(1)}, pages = {17-30}, groupsearch = {0}, keywords = {semantic distances} } @CONFERENCE{DeRaedt01, author = {L. De Raedt and S. Kramer}, title = {The levelwise version space algorithm and its application to molecular fragment finding}, booktitle = {Proc. 17th Int. Conf. on AI}, year = {2001}, pages = {853 - 862}, publisher = {Morgan Kaufmann} } @CONFERENCE{KramerDeRaedt01, author = {L. De Raedt and S. Kramer}, title = {Feature Construction with version spaces for biochemical application}, booktitle = {Proc. 18th Int. Conf. on Machine Learning}, year = {2001}, pages = {258 - 265} } @ARTICLE{RakFeatSelSVM03, author = {A. Rakotomamonjy}, title = {Variable Selection Using SVM based Criteria}, journal = {J. Machine Learning Research: Special Issue on Variable and Feature Selection}, year = {2003}, volume = {3}, pages = {1357 - 1370} } @ARTICLE{rand71, author = {Rand, W. M.}, title = {Objective criteria for the evaluation of clustering methods.}, journal = {Journal of the American Statistical Association}, year = {1971}, volume = {66}, pages = {846-850} } @ARTICLE{RareyFeatureTrees98, author = {M. Rarey and S. Dixon}, title = {Feature trees: A new molecular similarity measure based on tree-matching}, journal = {J. Computer-Aided Molecular Design}, year = {1998}, volume = {12}, pages = {471 - 490} } @ARTICLE{raychaudhuri03, author = {Raychaudhuri, S. and Altman, R.B.}, title = {A literature-based method for assessing the functional coherence of a gene group}, journal = {Bioinformatics}, year = {2003}, volume = {19}, pages = {396-401}, number = {3}, doi = {10.1093/bioinformatics/btg002} } @CONFERENCE{Ray00, author = {M. Raymer and W. Punch and E. Goodman and L. Kuhn and A. Jain}, title = {Dimensionality Reduction Using Genetic Algorithms}, booktitle = {IEEE Transactions on Evolutionary Computing}, year = {2000} } @ARTICLE{RaymondGraphSimilarity02, author = {J. Raymond and E. Gardiner and P. Willett and P. Rascal}, title = {Calculation of Graph Similarity using Maximum Common Edge Subgraphs}, journal = {The Computer Journal}, year = {2002}, volume = {45}, pages = {631 - 644}, number = {6} } @CONFERENCE{Renyi61, author = {A. Renyi}, title = {On measures of entropy and information}, booktitle = {Proc. 4th Berkely Symp. on Mathematical Statistics and Probability}, year = {1961}, pages = {547 - 561} } @ARTICLE{Resnik99, author = {Resnik, P.}, title = {Semantic Similarity in a Taxonomy: An information-based measure and its application to problems of ambigiguity in natural language}, journal = {Journal of Artificial Intelligence Research}, year = {1999}, volume = {11}, pages = {95-130}, address = {Montreal}, groupsearch = {0}, keywords = {semantic distances} } @INPROCEEDINGS{Resnik95, author = {Resnik, P.}, title = {Using Information Content to Evaluate Semantic Similarity in a Taxonomy}, booktitle = {Proceedings of the 14th International Joint Conference on Artificial Intelligence}, year = {1995}, volume = {1}, pages = {448-453}, address = {Montreal}, groupsearch = {0}, keywords = {semantic distances} } @CONFERENCE{KellyEditDistanceGraph03, author = {A. Robes-Kelly and E. Hancock}, title = {{Edit Distance From Graph Spectra}}, booktitle = {Proc. 9th IEEE Int. Conf. Comp. Vis.}, year = {2003}, volume = {1}, pages = {234 - 241} } @ARTICLE{robinson03, author = {Robinson, P.N and Wollstein, A. and B?hme U. and Beattie B.}, title = {Ontologizing gene-expression microarray data: characterizing clusters with Gene Ontology}, journal = {Bioinformatics}, year = {2003}, volume = {20}, pages = {979-981}, number = {6}, doi = {10.1093/bioinformatics/bth040} } @ARTICLE{Rogers2005DependencyNetworks, author = {S. Rogers and M. Girolami}, title = {A Bayesian regression approach to the inference of regulatory networks from gene expression data}, journal = {Bioinformatics}, year = {2005}, volume = {21}, pages = {3131 - 3137}, number = {14}, owner = {froehlih}, timestamp = {2008.02.18} } @CONFERENCE{rosales03learning, author = {R. Rosales and B. Frey}, title = {Learning generative models of affinity matrices}, booktitle = {19th Conf. on Uncertainty in Artificial Intelligence (UAI)}, year = {2003}, volume = {8} } @ARTICLE{Rosenblatt58, author = {F. Rosenblatt}, title = {{The Perceptron: a Probalistic Model for Information Storage and Organization in the Brain}}, journal = {Psychol. Review}, year = {1958}, volume = {65}, pages = {386 - 408} } @ARTICLE{RosipalKPLS01, author = {R. Rosipal and L. Trejo}, title = {Kernel Partial Least Squares Regression in Reproducing Kernel Hilbert Space}, journal = {J. Machine Learning Research}, year = {2001}, volume = {2}, pages = {97 - 123} } @CONFERENCE{roth-resampling, author = {Volker Roth and Tilman Lange and Mikio Braun and Joachim Buhmann}, title = {A Resampling Approach to Cluster Validation}, booktitle = {Proc. Comput. Statistics: 15th Symposium Held in Berlin}, year = {2002}, pages = {123 - 128}, url = {citeseer.ist.psu.edu/article/roth02resampling.html} } @ARTICLE{rousseeuw87, author = {Rousseeuw, P.J.}, title = {Silhouettes: a graphical aid to the interpretation and validation of cluster analysis}, journal = {J. Comp. and Applied Mathematics}, year = {1987}, volume = {20}, pages = {53-65} } @ARTICLE{Rung2002DisruptionNetworks, author = {Rung, J. and Schlitt, T. and Brazma, A. and Freivalds, K. and Vilo, J.}, title = {Building and analysing genome-wide gene disruption networks}, journal = {Bioinformatics}, year = {2002}, volume = {18}, pages = {S202 - S210}, number = {Suppl 2}, owner = {froehlih}, timestamp = {2008.02.18} } @BOOK{RusNor95, title = {Artificial Intelligence - A Modern Approach}, publisher = {Prentice Hall Inc.}, year = {1995}, author = {S. Russel and P. Norvig}, address = {New Jersey} } @ARTICLE{Sachs2005BayesNet, author = {K. Sachs and O. Perez and D. Pe'er and D. Lauffenburger and G. Nolan}, title = {Causal protein-signaling networks derived from multiparameter single-cell data}, journal = {Science}, year = {2005}, volume = {208}, pages = {523 - 529}, number = {5721}, owner = {froehlih}, timestamp = {2008.02.18} } @ARTICLE{Sahin2008BooleanNetwork, author = {\"O. Sahin and H. Fr\"ohlich and C. L\"oebke and U. Korf and S. Burmester and M. Majety and J. Mattern and I. Schupp and C. Chaouiya and D. Thieffry and A. Poustka and S. Wiemann and T. Bei{\ss}barth and D. Arlt}, title = {Modeling ERBB receptor-regulated G1/S transition to find novel targets for de novo trastuzumab resistance}, journal = {BMC Systems Biology}, year = {2009}, volume = {3}, pages = {1}, owner = {holger}, timestamp = {2008.11.01} } @ARTICLE{Sahin2007, author = {Ozg\"ur Sahin and Christian L\"obke and Ulrike Korf and Heribert Appelhans and Holger S\"ultmann and Annemarie Poustka and Stefan Wiemann and Dorit Arlt}, title = {Combinatorial RNAi for quantitative protein network analysis.}, journal = {Proc Natl Acad Sci U S A}, year = {2007}, volume = {104}, pages = {6579--6584}, number = {16}, month = {Apr}, abstract = {The elucidation of cross-talk events between intersecting signaling pathways is one main challenge in biological research. The complexity of protein networks, composed of different pathways, requires novel strategies and techniques to reveal relevant interrelations. Here, we established a combinatorial RNAi strategy for systematic single, double, and triple knockdown, and we measured the residual mRNAs and proteins quantitatively by quantitative real-time PCR and reverse-phase protein arrays, respectively, as a prerequisite for data analysis. Our results show that the parallel knockdown of at least three different genes is feasible while keeping both untargeted silencing and cytotoxicity low. The technique was validated by investigating the interplay of tyrosine kinase receptor ErbB2 and its downstream targets Akt-1 and MEK1 in cell invasion. This experimental approach combines multiple gene knockdown with a subsequent quantitative validation of reduced protein expression and is a major advancement toward the analysis of signaling pathways in systems biology.}, doi = {10.1073/pnas.0606827104}, keywords = {Cell Line, Tumor; Combinatorial Chemistry Techniques; Humans; Proteins; RNA Interference; RNA, Small Interfering; Receptor Cross-Talk; Signal Transduction; Systems Biology}, owner = {froehlih}, pii = {0606827104}, pmid = {17420474}, timestamp = {2008.10.23}, url = {http://dx.doi.org/10.1073/pnas.0606827104} } @CONFERENCE{SanCumCruz02, author = {S. Salcedo-Sanz and M. Prado-Cumplido and F. Perez-Cruz and C. Bousono-Calzon}, title = {{Feature Selection via Genetic Optimization}}, booktitle = {Proc. Int. Conf. Artifical Neural Networks 2002}, year = {2002}, pages = {547 - 552} } @CONFERENCE{SchBurVap95, author = {B. Sch\"olkopf and C. Burges and V. Vapnik}, title = {Extracting support data for a given task}, booktitle = {First Int. Conf. for Knowledge Discovery and Data Mining}, year = {1995}, editor = {U. N. Fayyad and R. Uthurusamy}, address = {Menlo Park}, publisher = {AAAI Press} } @ARTICLE{SchnuSVM00, author = {B. Sch\"olkopf and A. Smola and R. Williamson and P. Bartlett}, title = {New support vector algorithms}, journal = {Neural Computation}, year = {2000}, volume = {12}, pages = {1207 - 1245} } @BOOK{SchSmo02, title = {{Learning with Kernels}}, publisher = {MIT Press}, year = {2002}, author = {B. Sch\"olkopf and A. J. Smola}, address = {Cambridge, MA} } @BOOK{SchTsudaBioInfBook04, title = {Kernel Methods in Computational Biology}, publisher = {MIT Press}, year = {2004}, author = {B. Sch\"olkopf and K. Tsuda and J.-P. Vert}, address = {Cambridge, MA} } @ARTICLE{Schlicker2006GOFuncSim, author = {Andreas Schlicker and Francisco S Domingues and J�rg Rahnenf�hrer and Thomas Lengauer}, title = {{A new measure for functional similarity of gene products based on Gene Ontology}}, journal = {BMC Bioinformatics}, year = {2006}, volume = {7}, pages = {302}, owner = {froehlih}, timestamp = {2007.12.05} } @INPROCEEDINGS{Schohn00ActiveLearningSVM, author = {Greg Schohn and David Cohn}, title = {Less is More: {A}ctive Learning with Support Vector Machines}, booktitle = {Proc. 17th International Conf. on Machine Learning}, year = {2000}, pages = {839 - 846}, publisher = {Morgan Kaufmann, San Francisco, CA}, url = {citeseer.ist.psu.edu/schohn00less.html} } @BOOK{Sedgewick2002Book, title = {Algorithms}, publisher = {Addison-Wesley}, year = {2002}, author = {R. Sedgewick}, owner = {froehlih}, timestamp = {2008.06.17} } @ARTICLE{shah04, author = {Shah, N.H. and Fedoroff, N.V.}, title = {{CLENCH}: a program for calculating {C}luster {EN}ri{CH}ment using {G}ene {O}ntology}, journal = {Bioinformatics}, year = {2004}, volume = {20}, pages = {1196-1197}, number = {7}, doi = {10.1093/bioinformatics/bth056} } @BOOK{CrisTaylorKernelMethods04, title = {Kernel Methods for Pattern Analysis}, publisher = {Cambridge University Press}, year = {2004}, author = {J. Shawe-Taylor and N. Cristianini}, address = {Cambridge, UK} } @ARTICLE{shi00normalized, author = {J. Shi and J. Malik}, title = {Normalized Cuts and Image Segmentation}, journal = {IEEE Transactions on Pattern Analysis and Machine Intelligence}, year = {2000}, volume = {22}, pages = {888-905}, number = {8} } @BOOK{Siek2002BoostGraphLibrary, title = {The Boost Graph Library: User Guide and Reference Manual}, publisher = {Addison-Wesley, Pearson Education Inc.}, year = {2002}, author = {Jeremy G. Siek and Lie-Quan Lee and Andrew Lumsdaine}, address = {Boston, MA, USA}, owner = {froehlih}, timestamp = {2008.04.01} } @TECHREPORT{SmolaSVRTut98, author = {A. Smola and B. Sch\"olkopf}, title = {A Tutorial on Support Vector Regression}, institution = {NeuroCOLT2 Technical Report Series}, year = {1998}, number = {NC2-TR-1998-030} } @ARTICLE{Smith2004Limma, author = {G. Smyth}, title = {{Linear models and empirical Bayes methods for assessing differential expression in microarray experiments}}, journal = {Statistical Applications in Genetics and Molecular Biology}, year = {2004}, volume = {3}, number = {1}, owner = {froehlih}, timestamp = {2006.11.28} } @ARTICLE{sohler04, author = {Sohler, F. and Hanisch, D. and Zimmer, R.}, title = {New methods for joint analysis of biological networks and expression data}, journal = {Bioinformatics}, year = {2004}, volume = {20}, pages = {1517-1521}, number = {10}, doi = {10.1093/bioinformatics/bth112} } @CONFERENCE{FroeGO05, author = {N. Speer and H. Fr\"ohlich and C. Spieth and A. Zell}, title = {Functional Grouping of Genes Using Spectral Clustering and Gene Ontology}, booktitle = {Proc. Int. Joint Conf. Neural Networks}, year = {2005}, pages = {298 - 303} } @INPROCEEDINGS{speer05GOSlim, author = {N. Speer and H. Fr{\"o}hlich and C. Spieth and A. Zell}, title = {Functional Distances for Genes Based on GO Feature Maps and their Application to Clustering}, booktitle = {Proc. IEEE Symp. on Comp. Intel. in Bioinf. and Comp. Biology (CIBCB 2005) }, year = {2005}, pages = {142 - 149}, address = {San Diego, USA}, publisher = {IEEE Press} } @ARTICLE{Stossi2006ESR1CCNG2, author = {F. Stossi and V. Likhite and J. Katzenellenbogen and B. Katzenellenbogen}, title = {Estrogen-occupied Estrogen Receptor Represses Cyclin G2 Gene Expression and Recruits a Repressor Complex and Cyclin G2 Promoter}, journal = {The Journal of Biological Chemistry}, year = {2006}, volume = {281}, pages = {16272 - 16287}, number = {24}, owner = {froehlih}, timestamp = {2007.11.16} } @ARTICLE{SEDUMI99, author = {J. Sturm}, title = {Using SeDuMi1.02 a MATLAB toolbox for optimization over symmetric cones}, journal = {Optimization Methods and Software}, year = {1999}, volume = {11/12}, pages = {625 - 653}, number = {1 - 4} } @INPROCEEDINGS{syswerda89, author = {Syswerda, G.}, title = {Uniform crossover in genetic algorithms}, booktitle = {Proceedings of the 3rd International Conference on Genetic Algorithms}, year = {1989}, pages = {2-9}, groupsearch = {0}, keywords = {evolutionary algorithms} } @ARTICLE{Takamori2001FST, author = {Takamori, K. and Yoshida, S. and Okuyama, S.}, title = {{Effect of ACTH on the imipramine- and desipramine-induced decrease in duration of immobility time as measured in a rat forced swimming test]}}, journal = {Life Sci.}, year = {2001}, volume = {69}, pages = {1891-1896}, owner = {froehlih}, timestamp = {2006.07.13} } @INPROCEEDINGS{tamayo99, author = {Tamayo, P. and Slonim, D. and Mesirov, J.and Zhu, Q. and Kitareewan, S. and Dmitrovsky, E. and Lander, E.S. and Golub, T.R.}, title = {Interpreting Patterns of Gene Expression with Self-Organizing Maps: Methods and application to hematopoietic differentiation}, booktitle = {Proceedings of the National Academy of Sciences, USA}, year = {1999}, volume = {96}, pages = {2907-2912}, groupsearch = {0}, keywords = {mathematical clustering} } @ARTICLE{Tanno2001, author = {S. Tanno and S. Tanno and Y. Mitsuuchi and D. A. Altomare and G. H. Xiao and J. R. Testa}, title = {AKT activation up-regulates insulin-like growth factor I receptor expression and promotes invasiveness of human pancreatic cancer cells.}, journal = {Cancer Res}, year = {2001}, volume = {61}, pages = {589--593}, number = {2}, month = {Jan}, abstract = {Insulin-like growth factor I receptor (IGF-IR) is frequently overexpressed in several types of human malignancy and is associated with invasion and metastasis of tumor cells. Recently, IGF-IR expression was reported to be up-regulated in the human pancreatic cancer cell line PANC-1 when cells were stably transfected with active Src. The downstream targets of Src that lead to the up-regulation of IGF-IR expression were previously unknown. We demonstrate here that AKT regulates IGF-IR expression in PANC-1 and AsPC-1 cells. Cells transfected with active Src exhibited significantly more IGF-IR protein compared with vector-transfected cells. Overexpression of wild-type or constitutively active AKT (i.e., AKT1 or AKT2) also resulted in elevated IGF-IR expression. IGF-IR protein levels were higher in cells transfected with constitutively active AKT than in cells transfected with active Src. In vitro kinase assays showed that AKT kinases are activated by active Src and inhibited by dominant negative Src or the tumor suppressor PTEN. Furthermore, AKT-induced IGF-IR expression was down-regulated by dominant-negative Src or PTEN. In addition, cells transfected with activated AKT in the presence of IGF-I were shown to have enhanced invasiveness compared with control cells. These data provide evidence for a link between AKT signaling and the regulation of IGF-IR expression and demonstrate that active AKT promotes the invasiveness of pancreatic cancer cells through the up-regulation of IGF-IR expression.}, institution = {Human Genetics Program, Fox Chase Cancer Center, Philadelphia, Pennsylvania 19111, USA.}, keywords = {Blotting, Western; DNA, Recombinant; Down-Regulation; Enzyme Activation; Humans; Neoplasm Invasiveness; PTEN Phosphohydrolase; Pancreatic Neoplasms, genetics/metabolism/pathology; Phosphoric Monoester Hydrolases, metabolism; Plasmids, genetics; Precipitin Tests; Protein-Serine-Threonine Kinases; Proto-Oncogene Proteins c-akt; Proto-Oncogene Proteins, genetics/metabolism; Receptor, IGF Type 1, metabolism; Transfection; Tumor Cells, Cultured; Tumor Suppressor Proteins; Up-Regulation; src-Family Kinases, metabolism}, owner = {holfro}, pmid = {11212254}, timestamp = {2009.02.20} } @ARTICLE{tavazoie99, author = {Tavazoie, S. and Hughes, J.D. and Campbell, M.J. and Cho, R.J. and Church, G.M.}, title = {Systematic Determination of Genetic Network Architecture}, journal = {Nature Genetics}, year = {1999}, volume = {22}, pages = {281-285}, groupsearch = {0}, keywords = {reviews} } @CONFERENCE{TesmerAMIFS04, author = {M. Tesmer and P. Estevez}, title = {AMIFS: Adaptive Feature Selection by Using Mutual Information}, booktitle = {Proc. Int. Joint Conf. Neural Networks}, year = {2004}, volume = {1}, pages = {303 - 308} } @MISC{GOConsortiumWeb, author = {{The Gene Ontology Consortium}}, howpublished = {http://www.geneontology.org}, groupsearch = {0}, keywords = {gene ontology} } @MISC{Thea, author = {{The Gene Ontology Consortium}}, howpublished = {http://www.geneontology.org}, groupsearch = {0}, keywords = {gene ontology}, owner = {froehlih}, timestamp = {2008.10.02} } @ARTICLE{GOConsortium04, author = {{The Gene Ontology Consortium}}, title = {The Gene Ontology ({GO}) database and informatics resource}, journal = {Nucleic Acids Research}, year = {2004}, volume = {32}, pages = {D258-D261}, groupsearch = {0}, keywords = {gene ontology} } @ARTICLE{GOConsortium01, author = {{The Gene Ontology Consortium}}, title = {Creating the gene ontology resource: design and implementation}, journal = {Genome Research}, year = {2001}, volume = {11(8)}, pages = {1425-1433}, groupsearch = {0}, keywords = {gene ontology} } @MISC{GOMySQL, author = {{The Gene Ontology Database}}, howpublished = {\\http://www.godatabase.org/dev/database}, groupsearch = {0}, keywords = {gene ontology} } @MISC{The, author = {{The Gene Ontology Database}}, howpublished = {\\http://www.godatabase.org/dev/database}, groupsearch = {0}, keywords = {gene ontology}, owner = {froehlih}, timestamp = {2008.10.02} } @ARTICLE{Tibes2006, author = {Raoul Tibes and Yihua Qiu and Yiling Lu and Bryan Hennessy and Michael Andreeff and Gordon B Mills and Steven M Kornblau}, title = {Reverse phase protein array: validation of a novel proteomic technology and utility for analysis of primary leukemia specimens and hematopoietic stem cells.}, journal = {Mol Cancer Ther}, year = {2006}, volume = {5}, pages = {2512--2521}, number = {10}, month = {Oct}, abstract = {Proteomics has the potential to provide answers in cancer pathogenesis and to direct targeted therapy through the comprehensive analysis of protein expression levels and activation status. The realization of this potential requires the development of new, rapid, high-throughput technologies for performing protein arrays on patient samples, as well as novel analytic techniques to interpret them. Herein, we describe the validation and robustness of using reverse phase protein arrays (RPPA) for the analysis of primary acute myelogenous leukemia samples as well as leukemic and normal stem cells. In this report, we show that array printing, detection, amplification, and staining precision are very high, reproducible, and that they correlate with traditional Western blotting. Using replicates of the same sample on the same and/or separate arrays, or using separate protein samples prepared from the same starting sample, the intra- and interarray reproducibility was extremely high. No statistically significant difference in protein signal intensities could be detected within the array setups. The activation status (phosphorylation) was maintained in experiments testing delayed processing and preparation from multiple freeze-thawed samples. Differences in protein expression could reliably be detected in as few as three cell protein equivalents. RPPA prepared from rare populations of normal and leukemic stem cells were successfully done and showed differences from bulk populations of cells. Examples show how RPPAs are ideally suited for the large-scale analysis of target identification, validation, and drug discovery. In summary, RPPA is a highly reliable, reproducible, high-throughput system that allows for the rapid large-scale proteomic analysis of protein expression and phosphorylation state in primary acute myelogenous leukemia cells, cell lines, and in human stem cells.}, doi = {10.1158/1535-7163.MCT-06-0334}, institution = {Department of Medical Oncology, The University of Texas M.D. Anderson Cancer Center, Houston, Texas 77030-4095, USA.}, keywords = {Blotting, Western; Cell Line, Tumor; Hematopoietic Stem Cells; Humans; Leukemia, Myeloid, Acute; Prospective Studies; Protein Array Analysis; Proteome; Reproducibility of Results; Sensitivity and Specificity; Tumor Markers, Biological}, owner = {holger}, pii = {5/10/2512}, pmid = {17041095}, timestamp = {2009.01.18}, url = {http://dx.doi.org/10.1158/1535-7163.MCT-06-0334} } @BOOK{TikhonovRegularization77, title = {Solutions of ill-posed problems}, publisher = {W.H. Winston}, year = {1977}, author = {A. Tikhonov and V. Arsenin} } @ARTICLE{Tong01ActiveLearningSVM, author = {S. Tong and D. Koller}, title = {Support Vector Machine Active Learning with Applications to Text Classification}, journal = {J. Machine Learning Research}, year = {2001}, volume = {2}, pages = {45 - 66} } @ARTICLE{Tresch2007TransRed, author = {Achim Tresch and T. Bei{\ss}barth and H. S\"ultmann and R. Kuner and A. Poustka and A. Buness}, title = {{Discrimination of direct and indirect interactions in a network of regulatory effects}}, journal = {J Comput Biol}, year = {2007}, volume = {14}, pages = {1217 - 1228}, number = {9}, month = {Nov}, abstract = {The matter of concern are algorithms for the discrimination of direct from indirect regulatory effects from an interaction graph built up by error-prone measurements. Many of these algorithms can be cast as a rule for the removal of a single edge of the graph, such that the remaining graph is still consistent with the data. A set of mild conditions is given under which iterated application of such a rule leads to a unique minimal consistent graph. We show that three of the common methods for direct interactions search fulfill these conditions, thus providing a justification of their use. The main issues a reconstruction algorithm has to deal with, are the noise in the data, the presence of regulatory cycles, and the direction of the regulatory effects. We introduce a novel rule that, in contrast to the previously mentioned methods, simultaneously takes into account all these aspects. An efficient algorithm for the computation of the minimal graph is given, whose time complexity is cubic in the number of vertices of the graph. Finally, we demonstrate the utility of our method in a simulation study.}, doi = {10.1089/cmb.2007.0085}, owner = {froehlih}, pmid = {17990974}, timestamp = {2008.03.18}, url = {http://dx.doi.org/10.1089/cmb.2007.0085} } @ARTICLE{Tresch2008NEMs, author = {A. Tresch and F. Markowetz}, title = {{Structure Learning in Nested Effects Models}}, journal = {{Statistical Applications in Genetics and Molecular Biology}}, year = {2008}, volume = {7}, number = {1}, note = {in Press}, owner = {froehlih}, timestamp = {2008.02.04} } @ARTICLE{Tusher2001SAM, author = {V. Tusher and R. Tibshirani and G. Chu}, title = {Significance analysis of microarrays applied to the ionizing radiation response}, journal = {Proc. Nat. Acad. Sci.}, year = {2001}, volume = {98}, pages = {5116-5121}, owner = {froehlih}, timestamp = {2008.03.17} } @INCOLLECTION{Vaf93, author = {H. Vafaie and K. De Jong}, title = {Evolutionary feature space transformation}, booktitle = {Feature Extraction, Construction and Selection: a data mining perspective}, publisher = {Kluwer}, year = {1998}, editor = {H. Liu and H. Motoda}, pages = {307 - 323} } @ARTICLE{VandenbergheSDP96, author = {L. Vandenberghe and S. Boyd}, title = {Semidefinite Programming}, journal = {SIAM Review}, year = {1996}, volume = {38}, pages = {49 - 95}, number = {1} } @BOOK{Vapnik98, title = {Statistical Learning Theory}, publisher = {John Wiley and Sons}, year = {1998}, author = {V. Vapnik}, address = {New York} } @BOOK{Vapnik95, title = {{The Nature of Statistical Learning Theory}}, publisher = {Springer}, year = {1995}, author = {V. Vapnik}, address = {New York, NY} } @BOOK{Vapnik79, title = {Estimation of Dependencies Based on Empirical Data (in Russian)}, publisher = {Nauka}, year = {1979}, author = {V. Vapnik}, address = {Moscow} } @ARTICLE{VapCha00, author = {V. Vapnik and O. Chapelle}, title = {{Bounds on error expectation for Support Vector Machines}}, journal = {Neural Computation}, year = {2000}, volume = {12}, number = {9} } @INCOLLECTION{VapChapSpanBound00, author = {V. Vapnik and O. Chapelle}, title = {Bounds on Error Expectation for SVM}, booktitle = {Advances in Large Margin Classifiers}, publisher = {MIT Press}, year = {2000}, pages = {261 - 280}, address = {Cambridge, MA} } @ARTICLE{VapCherUniConv68, author = {V. Vapnik and A. Chervonenkis}, title = {Uniform convergence of frequencies of occurences of events to their probabilities}, journal = {Dokl. Akad. Nauk SSSR}, year = {1968}, volume = {181}, pages = {915 - 918} } @ARTICLE{Vaske2009, author = {Charles J Vaske and Carrie House and Truong Luu and Bryan Frank and Chen-Hsiang Yeang and Norman H Lee and Joshua M Stuart}, title = {A factor graph nested effects model to identify networks from genetic perturbations.}, journal = {PLoS Comput Biol}, year = {2009}, volume = {5}, pages = {e1000274}, number = {1}, month = {Jan}, abstract = {Complex phenotypes such as the transformation of a normal population of cells into cancerous tissue result from a series of molecular triggers gone awry. We describe a method that searches for a genetic network consistent with expression changes observed under the knock-down of a set of genes that share a common role in the cell, such as a disease phenotype. The method extends the Nested Effects Model of Markowetz et al. (2005) by using a probabilistic factor graph to search for a network representing interactions among these silenced genes. The method also expands the network by attaching new genes at specific downstream points, providing candidates for subsequent perturbations to further characterize the pathway. We investigated an extension provided by the factor graph approach in which the model distinguishes between inhibitory and stimulatory interactions. We found that the extension yielded significant improvements in recovering the structure of simulated and Saccharomyces cerevisae networks. We applied the approach to discover a signaling network among genes involved in a human colon cancer cell invasiveness pathway. The method predicts several genes with new roles in the invasiveness process. We knocked down two genes identified by our approach and found that both knock-downs produce loss of invasive potential in a colon cancer cell line. Nested effects models may be a powerful tool for inferring regulatory connections and genes that operate in normal and disease-related processes.}, doi = {10.1371/journal.pcbi.1000274}, institution = {Biomolecular Engineering Department, University of California Santa Cruz, Santa Cruz, California, United States of America.}, owner = {holfro}, pmid = {19180177}, timestamp = {2009.04.24}, url = {http://dx.doi.org/10.1371/journal.pcbi.1000274} } @TECHREPORT{verma:03, author = {D. Verma and M. Meila}, title = {A comparison of spectral clustering algorithms}, institution = {University of Washington, CSE}, year = {2003}, number = {03-05-01} } @INCOLLECTION{SmolaStringTreeKernels04, author = {S. Vishwanathan and A. Smola}, title = {{Fast Kernels for String and Tree Matching}}, booktitle = {Kernel Methods in Computational Biology}, publisher = {MIT Press}, year = {2004}, editor = {B. Sch\"olkopf and K. Tsuda and J.-P. Vert}, pages = {113 - 130}, address = {Cambridge, MA} } @ARTICLE{Vogel2001, author = {C. L. Vogel and M. A. Cobleigh and D. Tripathy and J. C. Gutheil and L. N. Harris and L. Fehrenbacher and D. J. Slamon and M. Murphy and W. F. Novotny and M. Burchmore and S. Shak and S. J. Stewart}, title = {First-line Herceptin monotherapy in metastatic breast cancer.}, journal = {Oncology}, year = {2001}, volume = {61 Suppl 2}, pages = {37--42}, abstract = {The pivotal phase II and III Herceptin trials proved the efficacy and safety of second- or third-line single-agent Herceptin and first-line Herceptin in combination with chemotherapy, respectively. In the current trial, 114 patients were randomized to one of two dose groups of first-line Herceptin monotherapy: standard dose of 4 mg/ kg initial dose followed by 2 mg/kg intravenous (i.v.) weekly; or high dose of 8 mg/kg initial dose followed by 4 mg/kg i.v. weekly. The regimen was generally well tolerated. A similar incidence of adverse events was demonstrated in the two dose groups with the possible exception of acute infusion-related events such as fever and chills as well as rash and dyspnea, which appear to be more prevalent in the higher dose group. The overall response rate was 26\% and response rates were similar between the two dose groups (24\% for the standard Herceptin dose group and 28\% for the high Herceptin dose group). Subgroup analysis determined a higher response rate in IHC 3+ patients (35\%) and FISH-positive patients (41\%). When women with stable disease for > or =6 months were included with responders, the clinical benefit rate in IHC 3+ patients was 47\%. Median survival was 24.4 months, which is comparable with the survival rate seen in the pivotal phase III combination trial (25 months). Therefore, single-agent Herceptin is an important new option for the first-line treatment of HER2-positive metastatic breast cancer patients.}, keywords = {Antibodies, Monoclonal; Antineoplastic Agents; Breast Neoplasms; Clinical Trials, Phase II as Topic; Clinical Trials, Phase III as Topic; Combined Modality Therapy; Disease Progression; Disease-Free Survival; Female; Fever; Heart Diseases; Humans; Neoplasm Metastasis; Neoplasm Proteins; Pain; Palliative Care; Randomized Controlled Trials as Topic; Receptor, erbB-2; Receptors, Estrogen; Safety; Salvage Therapy; Survival Analysis; Treatment Outcome; Tumor Markers, Biological}, owner = {froehlih}, pii = {ocl1b037}, pmid = {11694786}, timestamp = {2008.10.23} } @ARTICLE{Vogel2002, author = {Charles L Vogel and Melody A Cobleigh and Debu Tripathy and John C Gutheil and Lyndsay N Harris and Louis Fehrenbacher and Dennis J Slamon and Maureen Murphy and William F Novotny and Michael Burchmore and Steven Shak and Stanford J Stewart and Michael Press}, title = {Efficacy and safety of trastuzumab as a single agent in first-line treatment of HER2-overexpressing metastatic breast cancer.}, journal = {J Clin Oncol}, year = {2002}, volume = {20}, pages = {719--726}, number = {3}, month = {Feb}, abstract = {PURPOSE: To evaluate the efficacy and safety of first-line, single-agent trastuzumab in women with HER2-overexpressing metastatic breast cancer. PATIENTS AND METHODS: One hundred fourteen women with HER2-overexpressing metastatic breast cancer were randomized to receive first-line treatment with trastuzumab 4 mg/kg loading dose, followed by 2 mg/kg weekly, or a higher 8 mg/kg loading dose, followed by 4 mg/kg weekly. RESULTS: The objective response rate was 26\% (95\% confidence interval [CI], 18.2\% to 34.4\%), with seven complete and 23 partial responses. Response rates in 111 assessable patients with 3+ and 2+ HER2 overexpression by immunohistochemistry (IHC) were 35\% (95\% CI, 24.4\% to 44.7\%) and none (95\% CI, 0\% to 15.5\%), respectively. The clinical benefit rates in assessable patients with 3+ and 2+ HER2 overexpression were 48\% and 7\%, respectively. The response rates in 108 assessable patients with and without HER2 gene amplification by fluorescence in situ hybridization (FISH) analysis were 34\% (95\% CI, 23.9\% to 45.7\%) and 7\% (95\% CI, 0.8\% to 22.8\%), respectively. Seventeen (57\%) of 30 patients with an objective response and 22 (51\%) of 43 patients with clinical benefit had not experienced disease progression at follow-up at 12 months or later. The most common treatment-related adverse events were chills (25\% of patients), asthenia (23\%), fever (22\%), pain (18\%), and nausea (14\%). Cardiac dysfunction occurred in two patients (2\%); both had histories of cardiac disease and did not require additional intervention after discontinuation of trastuzumab. There was no clear evidence of a dose-response relationship for response, survival, or adverse events. CONCLUSION: Single-agent trastuzumab is active and well tolerated as first-line treatment of women with metastatic breast cancer with HER2 3+ overexpression by IHC or gene amplification by FISH.}, keywords = {Adult; Aged; Aged, 80 and over; Antibodies, Monoclonal; Antineoplastic Agents; Breast Neoplasms; Female; Gene Amplification; Genes, erbB-2; Humans; Immunohistochemistry; In Situ Hybridization; Middle Aged; Quality of Life; Safety; Treatment Outcome}, owner = {froehlih}, pmid = {11821453}, timestamp = {2008.10.23} } @ARTICLE{Wagner2002TransRed, author = {A. Wagner}, title = {How to reconstruct a large genetic network from n gene perturbations in fewer than $n^2$ easy steps}, journal = {Bioinformatics}, year = {2001}, volume = {17}, pages = {1183 - 1197}, number = {12}, owner = {froehlih}, timestamp = {2008.02.18} } @ARTICLE{Wang2008, author = {Li Wang and Ji Zhu and Hui Zou}, title = {Hybrid huberized support vector machines for microarray classification and gene selection.}, journal = {Bioinformatics}, year = {2008}, volume = {24}, pages = {412--419}, number = {3}, month = {Feb}, abstract = {MOTIVATION: The standard L(2)-norm support vector machine (SVM) is a widely used tool for microarray classification. Previous studies have demonstrated its superior performance in terms of classification accuracy. However, a major limitation of the SVM is that it cannot automatically select relevant genes for the classification. The L(1)-norm SVM is a variant of the standard L(2)-norm SVM, that constrains the L(1)-norm of the fitted coefficients. Due to the singularity of the L(1)-norm, the L(1)-norm SVM has the property of automatically selecting relevant genes. On the other hand, the L(1)-norm SVM has two drawbacks: (1) the number of selected genes is upper bounded by the size of the training data; (2) when there are several highly correlated genes, the L(1)-norm SVM tends to pick only a few of them, and remove the rest. RESULTS: We propose a hybrid huberized support vector machine (HHSVM). The HHSVM combines the huberized hinge loss function and the elastic-net penalty. By doing so, the HHSVM performs automatic gene selection in a way similar to the L(1)-norm SVM. In addition, the HHSVM encourages highly correlated genes to be selected (or removed) together. We also develop an efficient algorithm to compute the entire solution path of the HHSVM. Numerical results indicate that the HHSVM tends to provide better variable selection results than the L(1)-norm SVM, especially when variables are highly correlated. AVAILABILITY: R code are available at http://www.stat.lsa.umich.edu/~jizhu/code/hhsvm/.}, doi = {10.1093/bioinformatics/btm579}, keywords = {Algorithms; Artificial Intelligence; Gene Expression Profiling; Oligonucleotide Array Sequence Analysis; Pattern Recognition, Automated}, owner = {froehlih}, pii = {btm579}, pmid = {18175770}, timestamp = {2008.05.19}, url = {http://dx.doi.org/10.1093/bioinformatics/btm579} } @ARTICLE{WangData97, author = {R. Wang and Y. Fu and L. Lai}, title = {A New Atom-Additive Method for Calculating Partition Coefficients}, journal = {J. Chem. Inf. Comp. Sci.}, year = {1997}, volume = {37}, pages = {615 - 621} } @ARTICLE{WashioDataMining03, author = {T. Washio and H. Motoda}, title = {State of the Art of Graph-based Data Mining}, journal = {SIGKDD Explorations Special Issue on Multi-Relational Data Mining}, year = {2003}, volume = {5}, issue = {1} } @ARTICLE{WaterbeemdADMET03, author = {H. van de Waterbeemd and E. Gifford}, title = {{{ADMET} \textit{{I}n {S}ilico} {M}odelling: {T}owards {P}rediction {P}aradise}?}, journal = {{Nature Reviews: Drug Discovery}}, year = {2003}, volume = {2}, pages = {192--204}, abstract = {Following studies in the late 1990s that indicated that poor pharmacokinetics and toxicity were important causes of costly late-stage failures in drug development, it has become widely appreciated that these areas should be considered as early as possible in the drug discovery process. However, in recent years, combinatorial chemistry and high-throughput screening have significantly increased the number of compounds for which early data on absorption, distribution, metabolism, excretion (ADME) and toxicity (T) are needed, which has in turn driven the develop-ment of a variety of medium and high-throughput in vitro ADMET screens. Here, we describe how in silico approaches will further increase our ability to predict and model the most relevant pharma-cokinetic, metabolic and toxicity endpoints, thereby accelerating the drug discovery process.}, file = {wg03.pdf:wg03.pdf:PDF}, groupsearch = {0} } @ARTICLE{WegFroeHSCS05, author = {J. Wegner and H. Fr\"ohlich and H. Mielenz and A. Zell}, title = {Data and Graph Mining in Chemical Space for ADME and Activity Data Sets}, journal = {QSAR \& Comb. Sci.}, year = {2005}, note = {to appear} } @ARTICLE{WegFroe03, author = {J. Wegner and H. Fr\"ohlich and A. Zell}, title = {{Feature Selection for Descriptor based Classificiation Models: Part I - Theory and GA-SEC Algorithm}}, journal = {J. Chem. Inf. Comput. Sci.}, year = {2003}, volume = {44}, pages = {921 - 930} } @ARTICLE{WegFroe03:2, author = {J. Wegner and H. Fr\"ohlich and A. Zell}, title = {{Feature selection for Descriptor based Classification Models: Part II - Human Intestinal Absorption (HIA)}}, journal = {J. Chem. Inf. Comput. Sci.}, year = {2003}, volume = {44}, pages = {931 - 939} } @ARTICLE{Wegner03, author = {J. Wegner and A. Zell}, title = {{Prediction of Aqueous Solubility and Partition Coefficient Optimized by a Genetic Algorithm Based Descriptor Selection Method}}, journal = {J. Chem. Inf. Comput. Sci.}, year = {2003}, volume = {43}, pages = {1077 - 1084}, number = {3} } @MISC{Wegner, author = {J???rg K. Wegner}, title = {JOELIB - an Open Source chemoinformatics library}, owner = {froehlih}, timestamp = {2008.10.02}, url = {http://sourceforge.net/projects/joelib/} } @PHDTHESIS{Wegner2006Diss, author = {J\"org K. Wegner}, title = {{Data Mining und Graph Mining auf molekularen Graphen - Cheminformatik und molekulare Kodierungen f�r ADME/Tox \& QSAR-Analysen}}, school = {Eberhard-Karls Universit\"at T\"ubingen}, year = {2006}, owner = {froehlih}, timestamp = {2006.10.17} } @INPROCEEDINGS{weiss99segmentation, author = {Y. Weiss}, title = {Segmentation using Eigenvectors: A Unifying View}, booktitle = {{ICCV} (2)}, year = {1999}, pages = {975-982} } @ARTICLE{Husmeier2007NetworkPrior, author = {Werhli, A.V. and Husmeier, D.}, title = {{Reconstructing gene regulatory networks with Bayesian networks by combining expression data with multiple sources of prior knowledge}}, journal = {Statistical Applications in Genetics and Molecular Biology}, year = {2007}, volume = {6}, number = {1}, owner = {froehlih}, timestamp = {2008.03.18} } @ARTICLE{Wessel98, author = {M. D. Wessel and P. C. Jurs and J. W. Tolan and S. M. Muskal}, title = {{Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure}}, journal = {J. Chem. Inf. Comput. Sci.}, year = {1998}, volume = {38}, pages = {726 - 735} } @PHDTHESIS{WestonPHD99, author = {J. Weston}, title = {Extensions to the Support Vector Method}, school = {Royal Holloway University of London}, year = {1999} } @ARTICLE{WesEliSchTip02, author = {J. Weston and A. Elisseeff and B. Sch\"olkopf and M. Tipping}, title = {{Use of the zero-norm with linear models and kernel methods}}, journal = {J. Machine Learning Research Special Issue on Variable and Feature Selection}, year = {2002}, volume = {3}, pages = {1439 - 1461} } @CONFERENCE{WesMuk01, author = {J. Weston and S. Mukherjee and O. Chapelle and M. Pontil and T. Poggio and V. Vapnik}, title = {{Feature selection for SVMs}}, booktitle = {Adv. Neural Inf. Proc. Syst. 13}, year = {2001}, editor = {S. Solla and T. Leen and K.-R. M\"uller}, publisher = {MIT Press} } @CONFERENCE{WesWat99, author = {J. Weston and C. Watkins}, title = {Multi-class support vector machines}, booktitle = {Proc. Europ. Symp. Artificial Neural Networks}, year = {1999}, editor = {M. Verleysen}, address = {Brussles} } @TECHREPORT{Whitley92, author = {D. Whitley}, title = {{A Genetic Algorithm Tutorial}}, institution = {Department of Computer Science, Colorado State University}, year = {1993} } @TECHREPORT{WillamsGP97, author = {C. Willams}, title = {Prediction With Gaussian Processes: From Linear Regression To Linear Prediction and Beyond}, institution = {Aston University, UK}, year = {1997}, number = {NRG/97/012} } @ARTICLE{WolfeDual61, author = {P. Wolfe}, title = {A duality theorem for nonlinear programming}, journal = {Quarterly of Applied Mathematics}, year = {1961}, volume = {19}, pages = {239 - 244} } @CONFERENCE{Wolpert97, author = {D. Wolpert and W. Macready}, title = {{No Free Lunch Theorems for Optimization}}, booktitle = {Proc. IEEE Transactions on Evolutionary Computation}, year = {1997}, volume = {1}, number = {1}, pages = {67 - 82} } @TECHREPORT{Wolpert95, author = {D. Wolpert and W. Macready}, title = {{No Free Lunch Theorems for Search}}, institution = {Santa Fee Institute}, year = {1995}, number = {SFI-TR-95-02-010} } @ARTICLE{Wu05SemiActive, author = {T. Wu and W. Pottenger}, title = {A semi-supervised active learning algorithm for information extraction from textual data}, journal = {Journal of the American Society for Information Science and Technology}, year = {2005}, volume = {56}, pages = {258 - 271}, number = {3} } @ARTICLE{xu01, author = {Xu, Y. and Olman, V. and Xu D.}, title = {Clustering gene expression data using a graph theoretic approach: an application of minimum spanning trees}, journal = {Bioinformatics}, year = {2001}, volume = {18}, pages = {536-545}, groupsearch = {0}, keywords = {mathematical clustering} } @ARTICLE{XueQSARRFE04, author = {Y. Xue and Z. R. Li and C. W. Yap and L. Z. Sun and X. Chen and and Y. Z. Chen}, title = {Effect of Molecular Descriptor Feature Selection in Support Vector Machine Classification of Pharmacokinetic and Toxicological Properties of Chemical Agents}, journal = {J. Chem. Inf. Comp. Sci.}, year = {2004}, volume = {44}, pages = {1630 - 1638}, number = {5} } @INCOLLECTION{YamGeneCCA04, author = {Y. Yamanishi and J.-P. Vert and M. Kaneshisa}, title = {Heterogenous Data Comparison and Gene Selection with Kernel Canonical Correlation Analysis}, booktitle = {Kernel Methods in Computational Biology}, publisher = {MIT Press}, year = {2004}, editor = {B. Sch\"olkopf and K. Tsuda and J.-P. Vert}, pages = {209 - 230}, address = {Cambridge, MA} } @ARTICLE{YamPNInfCCA04, author = {Y. Yamanishi and J.-P. Vert and M. Kaneshisa}, title = {Protein network inference from multiple genomic data: a supervised approach}, journal = {Bioinformatics}, year = {2004}, volume = {20}, pages = {i363 - i370}, number = {1} } @ARTICLE{YazHIA98, author = {M. Yazdanian and S. Glynn and J. Wright and A. Hawi}, title = {Correlating Partitioning and Caco-2 Cell Permeability of Structurally Diverse Small Molecular Weight Compounds}, journal = {Pharm. Res.}, year = {1998}, volume = {15}, pages = {1490 - 1494} } @ARTICLE{YeeHIA97, author = {S. Yee}, title = {In Vitro Permeability Across Caco-2 Cells (Colonic) Can Predict in Vivo (Small Intestinal) Absorption in Man - Fact or Myth}, journal = {Pharm. Res.}, year = {1997}, volume = {14}, pages = {763 - 766} } @ARTICLE{yeung01_2, author = {Yeung, K.Y and Haynor, D.R. and Ruzzo, W. L.}, title = {Validating clustering for gene expression data}, journal = {Bioinformatics}, year = {2001}, volume = {17}, pages = {309-318} } @ARTICLE{yeung01_1, author = {Yeung, K.Y. and Ruzzo, W.L.}, title = {Principal component analysis for clustering gene expression data.}, journal = {Bioinformatics}, year = {2001}, volume = {17}, pages = {763-774}, groupsearch = {0}, keywords = {other methods (pca)} } @ARTICLE{yoshida00, author = {F. Yoshida and J. Topliss}, title = {{QSAR model for drug human oral bioavailability}}, journal = {J. Med. Chem.}, year = {2000}, volume = {43}, pages = {2575 - 2585} } @ARTICLE{Yoshikawa1996a, author = {T. Yoshikawa and B. R. DuPont and R. J. Leach and S. D. Detera-Wadleigh}, title = {New variants of the human and rat nuclear hormone receptor, TR4: expression and chromosomal localization of the human gene.}, journal = {Genomics}, year = {1996}, volume = {35}, pages = {361--366}, number = {2}, month = {Jul}, abstract = {TR4 is a new member of the nuclear hormone receptor family. This receptor is highly conserved in rat and human, but an in-frame insertion of 19 amino acid residues in the amino-terminal (A/B) region was found in the human homolog, which we refer to as hTR4alpha1. By reverse transcription-PCR (RT-PCR) we have identified a human TR4 mRNA (hTR4alpha2) that is analogous in size and sequence to the reported rat TR4. RT-PCR analysis using total RNA derived from various rat tissues revealed a new rat TR4 transcript, referred to as rTR4alpha1, which is homologous to hTR4alpha1 since it contains the extra 19 amino acids in the A/B region. The two rat transcripts showed a differential tissue distribution. Analysis of the exon-intron organization of the hTR4 A/B region showed that the 19-amino-acid peptide insert in hTR4alpha1 was encoded by a separate exon, indicating that hTR4alpha1 and hTR4alpha2 transcripts were produced by the differential usage of the exon. RT-PCR analysis revealed that both hTR4alpha1 and hTR4alpha2 were detectable in brain, placenta, and ovary. In contrast, the human ovarian cancer cell line, PA1, failed to express hTR4alpha1. By fluorescence in situ hybridization, we have mapped the hTR4 gene to 3p25, a region deleted in some forms of cancer.}, doi = {10.1006/geno.1996.0368}, keywords = {Animals; Base Sequence; Brain; Chromosome Deletion; Chromosome Mapping; Chromosomes, Human, Pair 3; DNA Primers; Exons; Female; Humans; In Situ Hybridization, Fluorescence; Introns; Molecular Sequence Data; Neoplasms; Nerve Tissue Proteins; Organ Specificity; Ovary; Placenta; Polymerase Chain Reaction; Pregnancy; RNA, Messenger; Rats; Receptors, Cytoplasmic and Nuclear; Receptors, Steroid; Receptors, Thyroid Hormone; Transcription, Genetic; Variation (Genetics)}, owner = {froehlih}, pii = {S0888-7543(96)90368-7}, pmid = {8661150}, timestamp = {2008.04.02}, url = {http://dx.doi.org/10.1006/geno.1996.0368} } @ARTICLE{Yu2000, author = {B. Yu and M. E. Lane and R. G. Pestell and C. Albanese and S. Wadler}, title = {Downregulation of cyclin D1 alters cdk 4- and cdk 2-specific phosphorylation of retinoblastoma protein.}, journal = {Mol Cell Biol Res Commun}, year = {2000}, volume = {3}, pages = {352--359}, number = {6}, month = {Jun}, abstract = {Progression of cells through the G1 phase of the cell cycle requires the assembly and activation of specific cyclin:cyclin-dependent kinase (cdk) complexes in a tightly regulated, sequential fashion. To more clearly define the temporal events leading to the G1/S transition, sequential changes in the expression of cyclin E and cdks 2, 4, and 6, as well as the phosphorylation of the retinoblastoma protein (pRb), were assayed in RA28 cells, a variant of human colon cancer RKO cells which were modified by transfection of an ecdysone-inducible antisense (AS) CD1 expression system. Induction of cyclin D1 antisense mRNA by the ecdysteroid, ponasterone A, resulted in a 55\% decrease in cyclin D1 mRNA and a 58\% decrease in CD1 protein levels. There was a 2.4-fold decrease in the ratio of hyperphosphorylated pRb (ppRb) to hypophosphorylated pRb, as well as a 60-75\% decrease in cdk 2- and cdk 4-specific phosphorylated pRb proteins. Of interest, cyclin E-dependent phosphorylation (cdk2) decreased 2.5-fold at 3 h despite only a 30\% decrease in cyclin E protein level. Levels of cdk 2, cdk 4, and cdk 6 decreased 40-70\%, while levels of cyclin A and B were unaffected by induction of CD1 antisense. Induction of a CD1 antisense gene in a human colon cancer cell line resulted in rapid, concomitant changes in CD1 mRNA and protein, cyclin E, cdk2, cdk4, and cdk6, as well as the ratio of ppRb to pRb. In this system, growth regulatory events are tightly regulated and the perturbed expression of a single protein, CD1, rapidly alters expression of multiple regulatory proteins involved in the G1/S transition phase of cell cycle progression.}, doi = {10.1006/mcbr.2000.0238}, institution = {Department of Medicine, Albert Einstein College of Medicine, Bronx, New York, 10461, USA.}, keywords = {Blotting, Western; CDC2-CDC28 Kinases; Colonic Neoplasms, metabolism; Cyclin D1, genetics/metabolism; Cyclin E, metabolism; Cyclin-Dependent Kinase 2; Cyclin-Dependent Kinase 4; Cyclin-Dependent Kinase 6; Cyclin-Dependent Kinases, metabolism; Down-Regulation, drug effects; Ecdysterone, analogs /&/ derivatives/pharmacology; Gene Expression Regulation, Neoplastic, drug effects; Genes, Reporter, genetics; Humans; Phosphorylation, drug effects; Protein-Serine-Threonine Kinases, metabolism; Proto-Oncogene Proteins; RNA, Antisense, genetics; RNA, Messenger, genetics/metabolism; Receptors, Steroid, genetics; Retinoblastoma Protein, metabolism; Substrate Specificity; Transcriptional Activation, drug effects; Transfection; Tumor Cells, Cultured}, owner = {holfro}, pii = {S1522472400902381}, pmid = {11032757}, timestamp = {2009.02.20}, url = {http://dx.doi.org/10.1006/mcbr.2000.0238} } @ARTICLE{YuFCBF04, author = {L. Yu and H. Liu}, title = {Efficient Feature Selection via Analysis of Relvance and Redundancy}, journal = {J. Machine Learning Research}, year = {2004}, volume = {5}, pages = {1205 - 1224} } @ARTICLE{zahn71, author = {Zahn, C.T.}, title = {Graph-theoretical methods for detecting and describing Gestalt clusters}, journal = {IEEE Transactions on Computers}, year = {1971}, volume = {C-20}, pages = {68-86}, groupsearch = {0}, keywords = {minimum spanning trees} } @ARTICLE{zeeberg03gominer, author = {B.R. Zeeberg and W. Feng and G. Wang and A.T. Fojo \textit{et al.}}, title = {{GO}Miner: a resource for biological interpretation of genomic and proteomic data}, journal = {Genome Biology}, year = {2003}, volume = {4}, number = {R28} } @ARTICLE{Zeller2008NEMsBN, author = {C. Zeller and H. Fr\"ohlich and A. Tresch}, title = {A Bayesian Network View on Nested Effects Models}, journal = {EURASIP Journal on Bioinformatics and Systems Biology}, year = {2009}, volume = {195272}, note = {In Press}, owner = {froehlih}, timestamp = {2008.11.06} } @CONFERENCE{DingKmeansSpectral, author = {H. Zha and C. Ding and M. Gu and X. He and H. Simon}, title = {Spectral Relaxation for K-means Clustering}, booktitle = {Proc. Neural Inf. Proc. Syst. 14}, year = {2001}, pages = {1057 - 1064} } @ARTICLE{Zhan2006a, author = {Lixing Zhan and Bin Xiang and Senthil K Muthuswamy}, title = {Controlled activation of ErbB1/ErbB2 heterodimers promote invasion of three-dimensional organized epithelia in an ErbB1-dependent manner: implications for progression of ErbB2-overexpressing tumors.}, journal = {Cancer Res}, year = {2006}, volume = {66}, pages = {5201--5208}, number = {10}, month = {May}, abstract = {Receptor tyrosine kinases of the ErbB family are implicated in a number of cancers, including that of the breast. ErbB receptors are activated by ligand-induced formation of homodimers and heterodimers. Receptor heterodimerization is thought to play a critical role in breast cancers overexpressing multiple members of the ErbB family. Although coexpression of ErbB receptors is associated with poor patient prognosis, the mechanisms by which receptor heterodimerization regulates tumor progression are not clear, due in part to a lack of methods that allow controlled activation of specific receptor heterodimers in mammary epithelial cells. Here, we report an approach to activate ErbB1-ErbB2 heterodimers in a nontumorigenic breast epithelial cell line, MCF-10A, without interference from endogenous ErbB receptors. Using such a method, we show that whereas both ErbB2 homodimers and ErbB1-ErbB2 heterodimers were equally potent in activating the Ras/mitogen-activated protein kinase pathway, the heterodimers were more potent in activating the phosphoinositide 3'-kinase (PI3K) and phospholipase Cgamma1 pathways than ErbB2 homodimers. We combined the dimerization system with a three-dimensional cell culture approach to show that whereas both ErbB2 homodimers and ErbB1-ErbB2 heterodimers induced disruption of three-dimensional acini-like structures, only heterodimers promoted invasion of cells through extracellular matrix. The ability of heterodimers to induce invasion required the ErbB1 kinase activity and required activation of PI3K, Ras/mitogen-activated protein kinase, and phospholipase Cgamma1 signaling pathways. Thus, we have identified cell invasion as a heterodimer-specific biological outcome and suggest that coexpression of ErbB1 may critically regulate invasive progression of ErbB2-positive breast cancers.}, doi = {10.1158/0008-5472.CAN-05-4081}, keywords = {Breast; Breast Neoplasms; Cell Transformation, Neoplastic; Dimerization; Disease Progression; Epithelial Cells; Humans; Neoplasm Invasiveness; Oncogene Proteins, Fusion; Receptor, Epidermal Growth Factor; Receptor, erbB-2; Signal Transduction}, owner = {froehlih}, pii = {66/10/5201}, pmid = {16707444}, timestamp = {2008.10.23}, url = {http://dx.doi.org/10.1158/0008-5472.CAN-05-4081} } @ARTICLE{zhang99, author = {Zhang, M.}, title = {Large-scale Gene Expression Data Analysis: A New Challenge to Computational Biologists.}, journal = {Genome Research}, year = {1999}, volume = {9}, pages = {681-688}, groupsearch = {0}, keywords = {reviews} } @CONFERENCE{ZhouSemiSup04, author = {D. Zhou and O. Bousquet and T. Lal and J. Weston and B. Sch\"olkopf}, title = {Learning with Local and Global Consistency}, booktitle = {Neural Inf. Proc. Syst.}, year = {2004} } @CONFERENCE{Zhu03SemiActive, author = {Xiaojin Zhu and John Lafferty and Zoubin Ghahramani}, title = {Semi-Supervised Learning Using Gaussian Fields and Harmonic Functions}, booktitle = {ICML 2003 workshop on The Continuum from Labeled to Unlabeled Data in Machine Learning and Data Mining}, year = {2003} } @INPROCEEDINGS{Zien00, author = {Zien, A. and K?ffner, R. and Zimmer, R. and Lengauer, T.}, title = {Analysis of Gene Expression Data with Pathway Scores}, booktitle = {Proceedings of the 8th International Conference on Intelligent Systems for Molecular Biology}, year = {2000}, editor = {R. Altman \textit{et al.}}, pages = {407-417}, address = {La Jolla, CA}, groupsearch = {0}, keywords = {pathway scoring methods} } @BOOK{BonchevGraphTheory90, title = {{{C}hemical {G}raph {T}heory: {I}ntroduction and {F}undamentals}}, publisher = {Gordon and Breach Science Publishers}, year = {1990}, editor = {D. Bonchev and D. H. Rouvray}, volume = {1}, series = {Mathematical Chemistry Series}, address = {London, UK}, groupsearch = {0}, isbn = {0--85626--454--7} } @BOOK{TodeschiniMolDescs00, title = {{H}andbook of {M}olecular {D}escriptors}, publisher = {Wiley--VCH}, year = {2000}, editor = {R. Todeschini and V. Consonni}, address = {Weinheim}, groupsearch = {0}, isbn = {3--52--29913--0} } @article{Niederberger2012, author = {Niederberger, , Theresa AND Etzold, , Stefanie AND Lidschreiber, , Michael AND Maier, , Kerstin C. AND Martin, , Dietmar E. AND Fröhlich, , Holger AND Cramer, , Patrick AND Tresch, , Achim}, journal = {PLoS Comput Biol}, publisher = {Public Library of Science}, title = {MC EMiNEM Maps the Interaction Landscape of the Mediator}, year = {2012}, month = {06}, volume = {8}, url = {http://dx.doi.org/10.1371%2Fjournal.pcbi.1002568}, pages = {e1002568}, abstract = {Author Summary

Phenotypic diversity and environmental adaptation in genetically identical cells is achieved by an exact tuning of their transcriptional program. It is a challenging task to unravel parts of the complex network of involved gene regulatory components and their interactions. Here, we shed light on the role of the Mediator complex in transcription regulation in yeast. The Mediator is highly conserved in all eukaryotes and acts as an interface between gene-specific transcription factors and the general mRNA transcription machinery. Even though most of the involved proteins and numerous structural features are already known, details on its functional contribution on basal as well as on activated transcription remain obscure. We use gene expression data, measured upon perturbations of various Mediator subunits, to relate the Mediator structure to the way it processes regulatory information. Moreover, we relate specific subunits to interacting transcription factors.

}, number = {6}, doi = {10.1371/journal.pcbi.1002568} }