To install this package, start R and enter:

## try http if https is not available
source("https://bioconductor.org/biocLite.R")
biocLite("ChemmineR")

In most cases, you don't need to download the package archive at all.

ChemmineR

 

Cheminformatics Toolkit for R

Bioconductor version: Release (3.1)

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 is not available
source("https://bioconductor.org/biocLite.R")
biocLite("ChemmineR")

Documentation

To view documentation for the version of this package installed in your system, start R and enter:

browseVignettes("ChemmineR")

 

HTML R Script ChemmineR
PDF   Reference Manual
Text   README
Text   NEWS

Details

biocViews BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Software, Visualization
Version 2.20.3
In Bioconductor since BioC 2.3 (R-2.8) (7 years)
License Artistic-2.0
Depends R (>= 2.10.0), methods
Imports rjson, graphics, stats, RCurl, DBI, digest, BiocGenerics, Rcpp (>= 0.11.0), ggplot2
LinkingTo Rcpp, BH
Suggests RSQLite, scatterplot3d, gplots, fmcsR, snow, RPostgreSQL, BiocStyle, knitr, knitcitations, knitrBootstrap, ChemmineOB(>= 1.3.8), ChemmineDrugs, grid, gridExtra, png
SystemRequirements
Enhances ChemmineOB
URL https://github.com/girke-lab/ChemmineR-release
Depends On Me ChemmineDrugs, eiR, fmcsR
Imports Me eiR, fmcsR, Rchemcpp, Rcpi
Suggests Me bioassayR, ChemmineOB
Build Report  

Package Archives

Follow Installation instructions to use this package in your R session.

Package Source ChemmineR_2.20.3.tar.gz
Windows Binary ChemmineR_2.20.3.zip (32- & 64-bit)
Mac OS X 10.6 (Snow Leopard) ChemmineR_2.20.3.tgz
Mac OS X 10.9 (Mavericks) ChemmineR_2.20.3.tgz
Subversion source (username/password: readonly)
Git source https://github.com/Bioconductor-mirror/ChemmineR/tree/release-3.1
Package Short Url http://bioconductor.org/packages/ChemmineR/
Package Downloads Report Download Stats

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