Rchemcpp (1.2.1)

An R package for computing the similarity of molecules.


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 almost 7 years ago.