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To install this package, start R and enter:
## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("ChemmineR")
In most cases, you don't need to download the package archive at all.
ChemmineR
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Cheminformatics Toolkit for R
Bioconductor version: Release (3.5)
ChemmineR is a cheminformatics package for analyzing drug-like small molecule data in R. Its latest version contains functions for efficient processing of large numbers of molecules, physicochemical/structural property predictions, structural similarity searching, classification and clustering of compound libraries with a wide spectrum of algorithms. In addition, it offers visualization functions for compound clustering results and chemical structures.
Author: Y. Eddie Cao, Kevin Horan, Tyler Backman, Thomas Girke
Maintainer: Thomas Girke <thomas.girke at ucr.edu>
Citation (from within R,
enter citation("ChemmineR")):
Installation
To install this package, start R and enter:
## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("ChemmineR")
Documentation
| HTML | R Script | ChemmineR |
| Reference Manual | ||
| Text | README | |
| Text | NEWS |
Details
| biocViews | BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Software, Visualization |
| Version | 2.28.3 |
| In Bioconductor since | BioC 2.3 (R-2.8) (9 years) |
| License | Artistic-2.0 |
| Depends | R (>= 2.10.0), methods |
| Imports | rjson, graphics, stats, RCurl, DBI, digest, BiocGenerics, Rcpp (>= 0.11.0), ggplot2, grid, gridExtra |
| LinkingTo | Rcpp, BH |
| Suggests | RSQLite, scatterplot3d, gplots, fmcsR, snow, RPostgreSQL, BiocStyle, knitr, knitcitations, knitrBootstrap, ChemmineOB(>= 1.3.8), ChemmineDrugs, png, rmarkdown |
| SystemRequirements | GNU make |
| Enhances | ChemmineOB |
| URL | https://github.com/girke-lab/ChemmineR |
| Depends On Me | ChemmineDrugs, eiR, fmcsR, PGPC |
| Imports Me | bioassayR, BioMedR, eiR, fmcsR, Rchemcpp, Rcpi |
| Suggests Me | ChemmineOB |
| Build Report |
Package Archives
Follow Installation instructions to use this package in your R session.
| Source Package | ChemmineR_2.28.3.tar.gz |
| Windows Binary | ChemmineR_2.28.3.zip (32- & 64-bit) |
| Mac OS X 10.11 (El Capitan) | ChemmineR_2.28.3.tgz |
| Source Repository | git clone https://git.bioconductor.org/packages/ChemmineR |
| Package Short Url | http://bioconductor.org/packages/ChemmineR/ |
| Package Downloads Report | Download Stats |
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