Rchemcpp

This package is for version 3.9 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: 3.9

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>

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

Installation

To install this package, start R (version "3.6") and enter:


if (!require("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")
Rchemcpp PDF R Script
Reference Manual PDF

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) (10.5 years)
License GPL (>= 2.1)
Depends R (>= 2.15.0)
Imports Rcpp (>= 0.11.1), methods, ChemmineR
System Requirements GNU make
URL http://www.bioinf.jku.at/software/Rchemcpp
See More
Suggests apcluster, kernlab
Linking To Rcpp
Enhances
Depends On Me
Imports Me
Suggests Me
Links To Me
Build Report 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
Bioc Package Browser https://code.bioconductor.org/browse/Rchemcpp/
Package Short Url https://bioconductor.org/packages/Rchemcpp/
Package Downloads Report Download Stats
Old Source Packages for BioC 3.9 Source Archive