source("http://bioconductor.org/biocLite.R")
biocLite("fmcsR")

fmcsR

Mismatch Tolerant Maximum Common Substructure Searching

Bioconductor version: 2.13

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>

Installation

To install this package, start R and enter:

source("http://bioconductor.org/biocLite.R")
biocLite("fmcsR")

Documentation

To view documentation for the version of this package installed in your system, start R and enter:

browseVignettes("fmcsR")

 

PDF	R Script	gpls Tutorial
PDF		Reference Manual
Text		README
Text		NEWS

Details

biocViews	Bioinformatics, CellBasedAssays, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization
Version	1.4.0
In Bioconductor since	BioC 2.11 (R-2.15)
License	Artistic-2.0
Depends	R (>= 2.10.0), ChemmineR, methods
Imports
Suggests	BiocStyle
System Requirements
URL	http://manuals.bioinformatics.ucr.edu/home/chemminer
Depends On Me
Imports Me
Suggests Me	ChemmineR

Package Archives

Follow Installation instructions to use this package in your R session.

Package Source	fmcsR_1.4.0.tar.gz
Windows Binary	fmcsR_1.4.0.zip (32- & 64-bit)
Mac OS X 10.6 (Snow Leopard)	fmcsR_1.4.0.tgz
Browse/checkout source	(username/password: readonly)
Package Downloads Report	Download Stats