Rchemcpp

DOI: 10.18129/B9.bioc.Rchemcpp    

This is the development version of Rchemcpp; for the stable release version, see Rchemcpp.

Similarity measures for chemical compounds

Bioconductor version: Development (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 (!requireNamespace("BiocManager", quietly = TRUE))
    install.packages("BiocManager")
BiocManager::install("Rchemcpp", version = "3.9")

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, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization
Version 2.21.0
In Bioconductor since BioC 2.13 (R-3.0) (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 Rchemcpp_2.21.0.tar.gz
Windows Binary Rchemcpp_2.21.0.zip (64-bit only)
Mac OS X 10.11 (El Capitan)
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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