To install this package, start R and enter:

## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("Rchemcpp")

In most cases, you don't need to download the package archive at all.

Rchemcpp

This package is for version 3.4 of Bioconductor; for the stable, up-to-date release version, see Rchemcpp.

Similarity measures for chemical compounds

Bioconductor version: 3.4

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>

Citation (from within R, enter citation("Rchemcpp")):

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	2.12.0
In Bioconductor since	BioC 2.13 (R-3.0) (3.5 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.

Package Source	Rchemcpp_2.12.0.tar.gz
Windows Binary	Rchemcpp_2.12.0.zip (32- & 64-bit)
Mac OS X 10.9 (Mavericks)	Rchemcpp_2.12.0.tgz
Subversion source	(username/password: readonly)
Git source	https://github.com/Bioconductor-mirror/Rchemcpp/tree/release-3.4
Package Short Url	http://bioconductor.org/packages/Rchemcpp/
Package Downloads Report	Download Stats

Documentation »

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