Analysis of Small Molecule and Screening Data

Bioconductor version: 2.10

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 <see at url>

To install this package, start R and enter:


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



PDF R Script gpls Tutorial
PDF   Reference Manual


biocViews Bioinformatics, CellBasedAssays, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization
Depends R (>= 2.10.0), methods
Imports graphics, methods, stats, RCurl
System Requirements
License Artistic-2.0
Depends On Me
Imports Me
Suggests Me
Version 2.8.1
Since Bioconductor 2.3 (R-2.8)

Package Downloads

Package Source ChemmineR_2.8.1.tar.gz
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MacOS 10.5 (Leopard) binary ChemmineR_2.8.1.tgz
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