Rchemcpp

DOI: 10.18129/B9.bioc.Rchemcpp    

This package is for version 3.9 of Bioconductor; for the stable, up-to-date release version, see Rchemcpp.

Similarity measures for chemical compounds

Bioconductor version: 3.9

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

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, ImmunoOncology, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization
Version	2.21.1
In Bioconductor since	BioC 2.13 (R-3.0) (6 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
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Build Report

Package Archives

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

Source Package	Rchemcpp_2.21.1.tar.gz
Windows Binary	Rchemcpp_2.22.0.zip
Mac OS X 10.11 (El Capitan)	Rchemcpp_2.22.0.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