ChemmineR

Analysis of Small Molecule and Screening Data

Bioconductor version: Release (2.9)

ChemmineR is an R package for analyzing small molecule and screening data. The new version of the package 'ChemmineR-V2' contains efficient functions and data containers for processing SDFs (structure data files), structural similarity searching, clustering/diversity analyses of compound libraries with a wide spectrum of algorithms. In addition, it offers utilities for managing complex data sets from high-throughput compound bio-assays, and visualization functions for clustering results and chemical structures.

Author: Y. Eddie Cao, Tyler Backman, Yan Wang, Thomas Girke

Maintainer: ChemmineR Team

To install this package, start R and enter:

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

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

    citation("ChemmineR")

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