To install this package, start R and enter:
## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("fmcsR")
In most cases, you don't need to download the package archive at all.
fmcsR
|
This package is for version 3.4 of Bioconductor; for the stable, up-to-date release version, see fmcsR.
Mismatch Tolerant Maximum Common Substructure Searching
Bioconductor version: 3.4
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: Thomas Girke <thomas.girke at ucr.edu>
Citation (from within R,
enter citation("fmcsR")):
Installation
To install this package, start R and enter:
## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("fmcsR")
Documentation
| HTML | R Script | fmcsR |
| Reference Manual | ||
| Text | README | |
| Text | NEWS |
Details
| biocViews | BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Software, Visualization |
| Version | 1.16.0 |
| In Bioconductor since | BioC 2.11 (R-2.15) (4.5 years) |
| License | Artistic-2.0 |
| Depends | R (>= 2.10.0), ChemmineR, methods |
| Imports | RUnit, methods, ChemmineR, BiocGenerics, parallel |
| LinkingTo | |
| Suggests | BiocStyle, knitr, knitcitations, knitrBootstrap |
| SystemRequirements | |
| Enhances | |
| URL | https://github.com/girke-lab/fmcsR |
| Depends On Me | |
| Imports Me | Rcpi |
| Suggests Me | ChemmineR |
| Build Report |
Package Archives
Follow Installation instructions to use this package in your R session.
| Package Source | fmcsR_1.16.0.tar.gz |
| Windows Binary | fmcsR_1.16.0.zip (32- & 64-bit) |
| Mac OS X 10.9 (Mavericks) | fmcsR_1.16.0.tgz |
| Subversion source | (username/password: readonly) |
| Git source | https://github.com/Bioconductor-mirror/fmcsR/tree/release-3.4 |
| Package Short Url | http://bioconductor.org/packages/fmcsR/ |
| Package Downloads Report | Download Stats |
Documentation »
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