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gnu: Add r-chemminer.

* gnu/packages/bioconductor.scm (r-chemminer): New variable.
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Ricardo Wurmus 2019-12-17 19:48:38 +01:00
parent d38775b13f
commit 991554fc92
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@ -6854,3 +6854,42 @@ datasets using static and interactive scatterplot matrices, parallel
coordinate plots, volcano plots, and litre plots. It includes examples for coordinate plots, volcano plots, and litre plots. It includes examples for
visualizing RNA-sequencing datasets and differentially expressed genes.") visualizing RNA-sequencing datasets and differentially expressed genes.")
(license license:gpl3))) (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)))