Article ID: 204 - Last Modified: December 4, 2010
How long does it take to create a Phase database?
Not taking into account the Ligand preparation step, on our database of commercially available drug-like compounds (3.1 million structures after preparation corresponding to 2.4 millions compounds before the preparation step) it took about 9.5 hours on 1 CPU to add the structures to the database using phasedb_manage and it took ~60 hours on 20 CPUs to generate conformers and assign pharmacophore sites using phasedb_confsites.
Keywords: Phase, database generation, speed, phasedb_confsites, phasedb_manage
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