[R-pkg-team] Bug#955288: ITP: r-bioc-fmcsr -- GNU R mismatch tolerant maximum common substructure searching
Andreas Tille
tille at debian.org
Sun Mar 29 13:22:17 BST 2020
Package: wnpp
Severity: wishlist
Subject: ITP: r-bioc-fmcsr -- GNU R mismatch tolerant maximum common substructure searching
Package: wnpp
Owner: Andreas Tille <tille at debian.org>
Severity: wishlist
* Package name : r-bioc-fmcsr
Version : 1.28.0
Upstream Author : Yan Wang, Tyler Backman, Kevin Horan, Thomas Girke
* URL : https://bioconductor.org/packages/fmcsR/
* License : Artistic-2.0
Programming Lang: GNU R
Description : GNU R mismatch tolerant maximum common substructure searching
The fmcsR package introduces an efficient 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.
Remark: This package is maintained by Debian R Packages Maintainers at
https://salsa.debian.org/r-pkg-team/r-bioc-fmcsr
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