recipe bioconductor-chemminer

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.

Homepage

https://bioconductor.org/packages/3.9/bioc/html/ChemmineR.html

License

Artistic-2.0

Recipe

/bioconductor-chemminer/meta.yaml

Links

biotools: chemminer

package bioconductor-chemminer

(downloads) docker_bioconductor-chemminer

Versions

3.34.1-0, 3.32.1-0, 2.30.0-0, 2.28.3-0

Depends
Required By

Installation

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

conda install bioconductor-chemminer

and update with:

conda update bioconductor-chemminer

or use the docker container:

docker pull quay.io/biocontainers/bioconductor-chemminer:<tag>

(see bioconductor-chemminer/tags for valid values for <tag>)