ChemmineR

A Compound Data Mining Framework

Bioconductor version: 2.6

ChemMineR is an open source compound mining framework. It contains functions for atom descriptor calculation, structure similarity searching, clustering of compound libraries and various utilities for managing complex compound data. It also offers a wide range of visualization functions for compound clusters and chemical structures. The package is integrated with the online ChemMine environment and allows bidirectional communications between the two services.

Author: Y. Eddie Cao, Anna Charisi, Thomas Girke

Maintainer: Y. Eddie Cao<ycao at bioinfo.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")

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