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

This package is for version 3.1 of Bioconductor; for the stable, up-to-date release version, see ChemmineR.

Cheminformatics Toolkit for R

Bioconductor version: 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:// URLs are not supported
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	2.20.4
In Bioconductor since	BioC 2.3 (R-2.8) (7.5 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_2.20.4.tar.gz
Windows Binary	ChemmineR_2.20.4.zip (32- & 64-bit)
Mac OS X 10.6 (Snow Leopard)	ChemmineR_2.20.4.tgz
Mac OS X 10.9 (Mavericks)	ChemmineR_2.20.4.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

Documentation »

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