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[ Source: r-bioc-fmcsr  ]

Package: r-bioc-fmcsr (1.40.0+dfsg-1)

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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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Architecture Package Size Installed Size Files
amd64 222.8 kB417.0 kB [list of files]
arm64 215.6 kB410.0 kB [list of files]
armel 212.4 kB408.0 kB [list of files]
armhf 212.9 kB408.0 kB [list of files]
i386 205.7 kB402.0 kB [list of files]
mips64el 216.9 kB478.0 kB [list of files]
mipsel 217.2 kB412.0 kB [list of files]
ppc64el 222.9 kB473.0 kB [list of files]
s390x 216.6 kB414.0 kB [list of files]