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Cheminformatics Toolkit for R

Bioconductor version: 3.0

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>

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biocViews CellBasedAssays, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization
Version 2.18.1
In Bioconductor since BioC 2.3 (R-2.8)
License Artistic-2.0
Depends R (>= 2.10.0), methods
Imports rjson, graphics, methods, stats, RCurl, DBI, digest, BiocGenerics, Rcpp (>= 0.11.0)
LinkingTo Rcpp
Suggests RSQLite, scatterplot3d, gplots, fmcsR, snow, RPostgreSQL, BiocStyle, knitr, knitcitations, knitrBootstrap, ChemmineOB(>= 1.3.8), ChemmineDrugs
Enhances ChemmineOB, ChemmineDrugs
Depends On Me ChemmineDrugs, eiR, fmcsR
Imports Me eiR, fmcsR, Rchemcpp, Rcpi
Suggests Me bioassayR, ChemmineOB
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Package Source ChemmineR_2.18.1.tar.gz
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Mac OS X 10.6 (Snow Leopard) ChemmineR_2.18.1.tgz
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