[Rdkit-discuss] Optimizing SSS in the RDKit

Dear all Andrew's question about fingerprints hit me at the right time: I had just finished doing some optimization work on the RDKit substructure search machinery (removing the vflib dependency). The details are here: http://code.google.com/p/rdkit/wiki/SubgraphIsomorphismOptimization It would

Re: [Rdkit-discuss] Optimizing SSS in the RDKit

Hi Greg, just a curiosity ... 765534 vs 76522 is one a subset of the other? If not - would it make sense to test on both? Just a thought. Apart from that I think the setup is reasonable for most applications we will have ... Nik Greg Landrum greg.land...@gmail.com 10.02.2009 15:11 To