To install this package, start R and enter:

source("http://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 (2.14)

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: ChemmineR Team <khoran at cs.ucr.edu>

Citation (from within R, enter citation("ChemmineR")):

Installation

To install this package, start R and enter:

source("http://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 Bioinformatics, CellBasedAssays, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization
Version 2.16.7
In Bioconductor since BioC 2.3 (R-2.8)
License Artistic-2.0
Depends R (>= 2.10.0), methods
Imports graphics, methods, stats, RCurl, DBI, digest, BiocGenerics
Suggests RSQLite, scatterplot3d, gplots, fmcsR, snow, RPostgreSQL, BiocStyle, knitr, knitcitations, ChemmineOB
System Requirements
URL http://manuals.bioinformatics.ucr.edu/home/chemminer
Depends On Me eiR, fmcsR
Imports Me eiR, fmcsR, Rchemcpp, Rcpi
Suggests Me bioassayR, ChemmineOB

Package Archives

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

Package Source ChemmineR_2.16.7.tar.gz
Windows Binary ChemmineR_2.16.7.zip (32- & 64-bit)
Mac OS X 10.6 (Snow Leopard) ChemmineR_2.16.7.tgz
Mac OS X 10.9 (Mavericks) ChemmineR_2.16.7.tgz
Browse/checkout source (username/password: readonly)
Package Downloads Report Download Stats

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