ChemmineR

Cheminformatics of Drug-like Small Molecule Data

Bioconductor version: Release (2.12)

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, Yan Wang, Thomas Girke

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

To install this package, start R and enter:

    source("http://bioconductor.org/biocLite.R")
    biocLite("ChemmineR")

To cite this package in a publication, start R and enter:

    citation("ChemmineR")

Documentation

PDF	R Script	gpls Tutorial
PDF		Reference Manual
Text		README
Text		NEWS

Details

biocViews	Bioinformatics, CellBasedAssays, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization
Version	2.12.3
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
System Requirements
URL	http://manuals.bioinformatics.ucr.edu/home/chemminer
Depends On Me	eiR, fmcsR
Imports Me	eiR
Suggests Me

Package Downloads

Package Source	ChemmineR_2.12.3.tar.gz
Windows Binary	ChemmineR_2.12.3.zip (32- & 64-bit)
Mac OS X 10.6 (Snow Leopard)	ChemmineR_2.12.3.tgz
Package Downloads Report	Download Stats

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