Written by Matthias Rupp 2006-2007.
Copyright (c) 2006-2007, Matthias Rupp, Ewgenij Proschak, Gisbert Schneider.
All rights reserved. See description for license terms.
Please cite
Matthias Rupp, Ewgenij Proschak, Gisbert Schneider:
A Kernel Approach to Molecular Similarity Based on Iterative Graph Similarity,
Journal of Chemical Information and Molecular Modeling, 47(6): 2280-2286, 2007, DOI http://dx.doi.org/10.1021/ci700274r.