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

Rchemcpp

Similarity measures for chemical compounds

Bioconductor version: 2.13

The Rchemcpp package implements the marginalized graph kernel and extensions, Tanimoto kernels, graph kernels, pharmacophore and 3D kernels suggested for measuring the similarity of molecules.

Author: Michael Mahr, Guenter Klambauer

Maintainer: Guenter Klambauer <klambauer at bioinf.jku.at>

Installation

To install this package, start R and enter:

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

Documentation

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

browseVignettes("Rchemcpp")

 

PDF	R Script	Rchemcpp
PDF		Reference Manual

Details

biocViews	Bioinformatics, CellBasedAssays, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization
Version	2.0.2
In Bioconductor since	BioC 2.13 (R-3.0)
License	GPL (>= 2.1)
Depends	Rcpp (>= 0.9.13), R (>= 2.15.0), methods, ChemmineR
Imports
Suggests	apcluster, kernlab
System Requirements
URL	http://www.bioinf.jku.at/software/Rchemcpp
Depends On Me
Imports Me
Suggests Me

Package Archives

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

Package Source	Rchemcpp_2.0.2.tar.gz
Windows Binary	Rchemcpp_2.0.2.zip (32- & 64-bit)
Mac OS X 10.6 (Snow Leopard)	Rchemcpp_2.0.2.tgz
Browse/checkout source	(username/password: readonly)
Package Downloads Report	Download Stats