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Package: r-bioc-fmcsr (1.36.0+dfsg-1)

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.

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Download for all available architectures
Architecture Package Size Installed Size Files
amd64 224.1 kB412 kB [list of files]
arm64 220.9 kB388 kB [list of files]
armhf 216.7 kB351 kB [list of files]
ppc64el 233.0 kB472 kB [list of files]