Rchemcpp: Similarity measures for chemical compounds

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.

Package details

AuthorMichael Mahr, Guenter Klambauer
Bioconductor views Bioinformatics CellBasedAssays Clustering DataImport ImmunoOncology Infrastructure MicrotitrePlateAssay Proteomics Software Visualization
MaintainerGuenter Klambauer <klambauer@bioinf.jku.at>
LicenseGPL (>= 2.1)
URL http://www.bioinf.jku.at/software/Rchemcpp
Package repositoryView on Bioconductor
Installation Install the latest version of this package by entering the following in R:
if (!requireNamespace("BiocManager", quietly = TRUE))


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Rchemcpp documentation built on May 6, 2019, 4:58 a.m.