\name{searchString} \alias{searchString} %- Also NEED an '\alias' for EACH other topic documented here. \title{ PubChem Similarity (Fingerprint) SMILES Search } \description{ Accepts one SMILES string (Simplified Molecular Input Line Entry Specification) and performs a >0.95 similarity PubChem fingerprint search, returning the hits in an \code{SDFset} container. The ChemMine Tools web service is used as an intermediate, to translate queries from plain HTTP POST to a PubChem Power User Gateway (PUG) query. } \usage{ searchString(smiles) } %- maybe also 'usage' for other objects documented here. \arguments{ \item{smiles}{ A \code{character} object which contains one SMILES string } } \value{ \item{SDFset}{ for details see ?"SDFset-class"} } \references{ PubChem PUG SOAP: http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap_help.html Chemmine web service: http://chemmine.ucr.edu PubChem help: http://pubchem.ncbi.nlm.nih.gov/search/help_search.html SMILES Format: http://en.wikipedia.org/wiki/Chemical_file_format#SMILES } \author{ Tyler Backman } \examples{ \dontrun{ ## search a compound on PubChem compounds <- searchString("CC(=O)OC1=CC=CC=C1C(=O)O")} } \keyword{ utilities }