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 is the development version of Rchemcpp; to use it, please install the devel version of Bioconductor.

Similarity measures for chemical compounds

Bioconductor version: Development (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>

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

Installation

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

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

# The following initializes usage of Bioc devel
BiocManager::install(version='devel')

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 2.23.1
In Bioconductor since BioC 2.13 (R-3.0) (5.5 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
Links To Me
Build Report  

Package Archives

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

Source Package
Windows Binary Rchemcpp_2.23.1.zip (32- & 64-bit)
Mac OS X 10.11 (El Capitan) Rchemcpp_2.23.1.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 http://bioconductor.org/packages/Rchemcpp/
Package Downloads Report Download Stats

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