Hi Asad, I meant the algorithm ported from chemkit:
https://github.com/asad/Benchmark/tree/master/src/chemkit > I concur with Nina's view on library vs database search. I'm not sure how you differentiate library vs database search? To explain myself: graph matching is not done natively in a relational database so you need somekind of library/add-in/carrtridge anyway? Where is the advanatge of a database in the graph matching step? Best Regards, Joos Am 09.09.2011 02:37, schrieb Syed Asad Rahman: > Hi Joos, I concur with Nina's view on library vs database search. > > Just wondering if you had used the right code... > > https://github.com/asad/SMSD/tree/master/src/org/openscience/smsd/algorithm/vflib/substructure > > Kind test it with the above code. > > or use > https://github.com/asad/SMSD/blob/master/src/org/openscience/smsd/Substructure.java > > Asad > ------------------------------------------------------------------------------ Why Cloud-Based Security and Archiving Make Sense Osterman Research conducted this study that outlines how and why cloud computing security and archiving is rapidly being adopted across the IT space for its ease of implementation, lower cost, and increased reliability. Learn more. http://www.accelacomm.com/jaw/sfnl/114/51425301/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
