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| author | Ricardo Wurmus <rekado@elephly.net> | 2019-12-17 19:48:38 +0100 |
|---|---|---|
| committer | Ricardo Wurmus <rekado@elephly.net> | 2019-12-17 20:02:18 +0100 |
| commit | 991554fc920b5cc09e6d005f7d649fde9f4de2c5 (patch) | |
| tree | 760285e5b62a997df052f5231f3504ed6c3ac347 /gnu/packages | |
| parent | d38775b13fa24dd9e2bc3e4e48a69a9e83cbdc6a (diff) | |
| download | patches-991554fc920b5cc09e6d005f7d649fde9f4de2c5.tar patches-991554fc920b5cc09e6d005f7d649fde9f4de2c5.tar.gz | |
gnu: Add r-chemminer.
* gnu/packages/bioconductor.scm (r-chemminer): New variable.
Diffstat (limited to 'gnu/packages')
| -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))) |