Rchemcpp (1.1.1)

An R package for computing the similarity of molecules.

http://www.bioinf.jku.at/software/Rchemcpp
http://cran.r-project.org/web/packages/Rchemcpp

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.

Maintainer: Guenter Klambauer
Author(s): Michael Mahr, Guenter Klambauer

License: GPL (>= 2.1)

Uses: Rcpp, apcluster

Released about 7 years ago.