Rchemcpp

DOI: 10.18129/B9.bioc.Rchemcpp    

Similarity measures for chemical compounds

Bioconductor version: Release (3.6)

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:

## try http:// if https:// URLs are not supported
source("https://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	2.16.0
In Bioconductor since	BioC 2.13 (R-3.0) (4.5 years)
License	GPL (>= 2.1)
Depends	R (>= 2.15.0)
Imports	Rcpp (>= 0.11.1), methods, ChemmineR
LinkingTo	Rcpp
Suggests	apcluster, kernlab
SystemRequirements	GNU make
Enhances
URL	http://www.bioinf.jku.at/software/Rchemcpp
Depends On Me
Imports Me
Suggests Me
Build Report

Package Archives

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

Source Package	Rchemcpp_2.16.0.tar.gz
Windows Binary	Rchemcpp_2.16.0.zip (32- & 64-bit)
Mac OS X 10.11 (El Capitan)	Rchemcpp_2.16.0.tgz
Source Repository	git clone https://git.bioconductor.org/packages/Rchemcpp
Package Short Url	http://bioconductor.org/packages/Rchemcpp/
Package Downloads Report	Download Stats