[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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