fmcsR
Flexible Maximum Common Substructure (FMCS) Searching
Bioconductor version: Release (2.12)
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.
Author: Yan Wang, Tyler Backman, Kevin Horan, Thomas Girke
Maintainer: ChemmineR Team <see at url>
To install this package, start R and enter:
source("http://bioconductor.org/biocLite.R")
biocLite("fmcsR")
To cite this package in a publication, start R and enter:
citation("fmcsR")
Documentation
| R Script | gpls Tutorial | |
| Reference Manual | ||
| Text | NEWS |
Details
| biocViews | Bioinformatics, CellBasedAssays, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization |
| Version | 1.2.1 |
| In Bioconductor since | BioC 2.11 (R-2.16) |
| License | Artistic-2.0 |
| Depends | R (>= 2.10.0), ChemmineR, methods |
| Imports | |
| Suggests | |
| System Requirements | |
| URL | http://manuals.bioinformatics.ucr.edu/home/chemminer |
| Depends On Me | |
| Imports Me | |
| Suggests Me | ChemmineR |
Package Downloads
| Package Source | fmcsR_1.2.1.tar.gz |
| Windows Binary | fmcsR_1.2.1.zip (32- & 64-bit) |
| Mac OS X 10.6 (Snow Leopard) | fmcsR_1.2.1.tgz |
| Package Downloads Report | Download Stats |
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