Rchemcpp

DOI: 10.18129/B9.bioc.Rchemcpp    

This package is deprecated. It will probably be removed from Bioconductor. Please refer to the package end-of-life guidelines for more information.

This package is for version 3.10 of Bioconductor. This package has been removed from Bioconductor. For the last stable, up-to-date release version, see Rchemcpp.

Similarity measures for chemical compounds

Bioconductor version: 3.10

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 (version "3.6") and enter:

if (!requireNamespace("BiocManager", quietly = TRUE))
    install.packages("BiocManager")

BiocManager::install("Rchemcpp")

For older versions of R, please refer to the appropriate Bioconductor release.

Documentation

PDF		Reference Manual

Details

biocViews	Bioinformatics, CellBasedAssays, Clustering, DataImport, ImmunoOncology, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization
Version	2.24.0
In Bioconductor since	BioC 2.13 (R-3.0) (6.5 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
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Build Report

Package Archives

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

Source Package
Windows Binary	Rchemcpp_2.24.0.zip (32- & 64-bit)
Mac OS X 10.11 (El Capitan)	Rchemcpp_2.24.0.tgz
Source Repository	git clone https://git.bioconductor.org/packages/Rchemcpp
Source Repository (Developer Access)	git clone git@git.bioconductor.org:packages/Rchemcpp
Package Short Url	https://bioconductor.org/packages/Rchemcpp/
Package Downloads Report	Download Stats