diff options
| -rw-r--r-- | gnu/packages/bioconductor.scm | 39 |
1 files changed, 39 insertions, 0 deletions
diff --git a/gnu/packages/bioconductor.scm b/gnu/packages/bioconductor.scm index 743a96754f..2423e74b3f 100644 --- a/gnu/packages/bioconductor.scm +++ b/gnu/packages/bioconductor.scm @@ -6854,3 +6854,42 @@ datasets using static and interactive scatterplot matrices, parallel coordinate plots, volcano plots, and litre plots. It includes examples for visualizing RNA-sequencing datasets and differentially expressed genes.") (license license:gpl3))) + +(define-public r-chemminer + (package + (name "r-chemminer") + (version "3.38.0") + (source + (origin + (method url-fetch) + (uri (bioconductor-uri "ChemmineR" version)) + (sha256 + (base32 + "1j6vmkhc03dmmkm5wgbcv62pw5dclp49f906xkx1pwg27bdldbga")))) + (properties `((upstream-name . "ChemmineR"))) + (build-system r-build-system) + (propagated-inputs + `(("r-base64enc" ,r-base64enc) + ("r-bh" ,r-bh) + ("r-biocgenerics" ,r-biocgenerics) + ("r-dbi" ,r-dbi) + ("r-digest" ,r-digest) + ("r-dt" ,r-dt) + ("r-ggplot2" ,r-ggplot2) + ("r-gridextra" ,r-gridextra) + ("r-png" ,r-png) + ("r-rcpp" ,r-rcpp) + ("r-rcurl" ,r-rcurl) + ("r-rjson" ,r-rjson) + ("r-rsvg" ,r-rsvg))) + (home-page "https://github.com/girke-lab/ChemmineR") + (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.") + (license license:artistic2.0))) |