recipe bioconductor-chemminer

Cheminformatics Toolkit for R

Homepage:

https://bioconductor.org/packages/3.16/bioc/html/ChemmineR.html

License:

Artistic-2.0

Recipe:

/bioconductor-chemminer/meta.yaml

Links:

biotools: 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.

package bioconductor-chemminer

(downloads) docker_bioconductor-chemminer

Versions:
3.50.0-03.46.0-23.46.0-13.46.0-03.44.0-03.42.2-03.42.0-03.40.0-03.38.0-0

3.50.0-03.46.0-23.46.0-13.46.0-03.44.0-03.42.2-03.42.0-03.40.0-03.38.0-03.36.0-13.34.1-03.32.1-02.30.0-02.28.3-0

Depends:
Required By:

Installation

With an activated Bioconda channel (see 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>)

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