Package: wnpp Severity: wishlist Subject: ITP: r-bioc-fmcsr -- GNU R mismatch tolerant maximum common substructure searching Package: wnpp Owner: Andreas Tille <ti...@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
