From: Christoph S. <ste...@eb...> - 2008-09-12 15:38:34
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Rajarshi Guha wrote: > The bottleneck was the DFS and subsequent tracking of unique paths. I > have implemented an alternate form of findPathes() that behaves > identically, but is ~ 4X faster (on the 1000 molecule ZINC QA dataset). Ouch :-) But thanks anyway. Cheers, Chris -- Dr. Christoph Steinbeck Head of Chemoinformatics and Metabolism European Bioinformatics Institute (EBI) Wellcome Trust Genome Campus Hinxton, Cambridge CB10 1SD UK Phone +44 1223 49 2640 What is man but that lofty spirit - that sense of enterprise. ... Kirk, "I, Mudd," stardate 4513.3.. |