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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("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")
Details
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Follow Installation instructions to use this package in your R session.