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r-chemminer 3.62.0
Propagated dependencies: r-base64enc@0.1-3 r-bh@1.87.0-1 r-biocgenerics@0.56.0 r-dbi@1.2.3 r-digest@0.6.39 r-dt@0.34.0 r-ggplot2@4.0.1 r-gridextra@2.3 r-jsonlite@2.0.0 r-png@0.1-8 r-rcpp@1.1.0 r-rcurl@1.98-1.17 r-rjson@0.2.23 r-rsvg@2.7.0 r-stringi@1.8.7
Channel: guix
Location: gnu/packages/bioconductor.scm (gnu packages bioconductor)
Home page: https://github.com/girke-lab/ChemmineR
Licenses: Artistic License 2.0
Build system: r
Synopsis: Cheminformatics toolkit for R
Description:

ChemmineR is a cheminformatics package for analyzing drug-like small molecule data in R. It 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.

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