Jun 142015
 

ChemmineR 2.20.3

:: DESCRIPTION

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.

::DEVELOPER

Girke Lab

:: SCREENSHOTS

n/a

:: REQUIREMENTS

  • Linux/ MacOsX/Windows
  • R package
  • BioConductor

:: DOWNLOAD

 ChemmineR

:: MORE INFORMATION

Citation

Bioinformatics. 2008 Aug 1;24(15):1733-4. doi: 10.1093/bioinformatics/btn307.
ChemmineR: a compound mining framework for R.
Cao Y, Charisi A, Cheng LC, Jiang T, Girke T.

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