bioconductor-chemminer

downloads

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. In addition, it offers visualization functions for compound clustering results and chemical structures.

Home http://bioconductor.org/packages/3.7/bioc/html/ChemmineR.html
Versions 3.32.1, 2.30.0, 2.28.3
License Artistic-2.0
Recipe https://github.com/bioconda/bioconda-recipes/tree/master/recipes/bioconductor-chemminer
Links biotools: chemminer

Installation

With an activated Bioconda channel (see 2. Set up channels), install with:

conda install bioconductor-chemminer

and update with:

conda update bioconductor-chemminer

docker

A Docker container is available at https://quay.io/repository/biocontainers/bioconductor-chemminer.