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")

Documentation

PDF R Script gpls Tutorial
PDF overview.pdf
PDF scatterplot.pdf
PDF searchscreenshot.pdf
PDF visualizescreenshot.pdf
PDF   Reference Manual

Details

biocViews Clustering
Depends
Imports
Suggests
System Requirements
License GPL (>= 2)
URL http://bioweb.ucr.edu/ChemMineV2/chemminer/
Depends On Me
Imports Me
Suggests Me
Version 1.8.0
Since Bioconductor 2.3 (R-2.8)

Package Downloads

Package Source ChemmineR_1.8.0.tar.gz
Windows Binary ChemmineR_1.8.0.zip (32- & 64-bit)
MacOS 10.5 (Leopard) binary ChemmineR_1.8.0.tgz
Package Downloads Report Download Stats

Workflows »

Common Bioconductor workflows include:

 

Mailing Lists »

Post questions about Bioconductor packages to our mailing lists. Read the posting guide before posting!

Fred Hutchinson Cancer Research Center