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gnu: Add r-fmcsr.

* gnu/packages/bioconductor.scm (r-fmcsr): New variable.
master
Ricardo Wurmus 2021-11-30 22:48:07 +01:00
parent e4e50229f1
commit 3411f8d512
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@ -11668,6 +11668,37 @@ visualization functions for compound clustering results and chemical
structures.")
(license license:artistic2.0)))
(define-public r-fmcsr
(package
(name "r-fmcsr")
(version "1.36.0")
(source
(origin
(method url-fetch)
(uri (bioconductor-uri "fmcsR" version))
(sha256
(base32 "0mshslfj7jsix1yc03s54spbbi56zspic49kfsjfv8npikj1i5w0"))))
(properties `((upstream-name . "fmcsR")))
(build-system r-build-system)
(propagated-inputs
`(("r-biocgenerics" ,r-biocgenerics)
("r-chemminer" ,r-chemminer)
("r-runit" ,r-runit)))
(native-inputs `(("r-knitr" ,r-knitr)))
(home-page "https://github.com/girke-lab/fmcsR")
(synopsis "Mismatch tolerant maximum common substructure searching")
(description
"The fmcsR package introduces an efficient @dfn{maximum common
substructure} (MCS) algorithms combined with a novel matching strategy that
allows for atom and/or bond mismatches in the substructures shared among two
small molecules. The resulting flexible MCSs (FMCSs) are often larger than
strict MCSs, resulting in the identification of more common features in their
source structures, as well as a higher sensitivity in finding compounds with
weak structural similarities. The fmcsR package provides several utilities to
use the FMCS algorithm for pairwise compound comparisons, structure similarity
searching and clustering.")
(license license:artistic2.0)))
(define-public r-bioassayr
(package
(name "r-bioassayr")