ChemmineR

Cheminformatics of Drug-like Small Molecule Data

Bioconductor version: Release (2.11)

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, Tyler Backman, Yan Wang, Thomas Girke

Maintainer: ChemmineR Team <see at url>

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")

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