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gnu: Add r-chemminer.
* gnu/packages/bioconductor.scm (r-chemminer): New variable.
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@ -6854,3 +6854,42 @@ (define-public r-bigpint
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coordinate plots, volcano plots, and litre plots. It includes examples for
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visualizing RNA-sequencing datasets and differentially expressed genes.")
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(license license:gpl3)))
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(define-public r-chemminer
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(package
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(name "r-chemminer")
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(version "3.38.0")
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(source
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(origin
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(method url-fetch)
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(uri (bioconductor-uri "ChemmineR" version))
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(sha256
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(base32
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"1j6vmkhc03dmmkm5wgbcv62pw5dclp49f906xkx1pwg27bdldbga"))))
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(properties `((upstream-name . "ChemmineR")))
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(build-system r-build-system)
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(propagated-inputs
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`(("r-base64enc" ,r-base64enc)
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("r-bh" ,r-bh)
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("r-biocgenerics" ,r-biocgenerics)
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("r-dbi" ,r-dbi)
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("r-digest" ,r-digest)
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("r-dt" ,r-dt)
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("r-ggplot2" ,r-ggplot2)
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("r-gridextra" ,r-gridextra)
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("r-png" ,r-png)
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("r-rcpp" ,r-rcpp)
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("r-rcurl" ,r-rcurl)
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("r-rjson" ,r-rjson)
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("r-rsvg" ,r-rsvg)))
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(home-page "https://github.com/girke-lab/ChemmineR")
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(synopsis "Cheminformatics toolkit for R")
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(description
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"ChemmineR is a cheminformatics package for analyzing drug-like small
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molecule data in R. It contains functions for efficient processing of large
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numbers of molecules, physicochemical/structural property predictions,
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structural similarity searching, classification and clustering of compound
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libraries with a wide spectrum of algorithms. In addition, it offers
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visualization functions for compound clustering results and chemical
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structures.")
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(license license:artistic2.0)))
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