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 @@ (define-public r-bigpint
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)))