Hi,I plan to use substructure search for around 1500 molecules versus 3000 small fragments, stored in sdf with 3D coordinates. The goal is to identify and investigate which fragments are most/less found in the set.
I am quite new in the field and it's the occasion to compare programs and libraries that can do that. Can you provide me some links to papers that discuss and compare available tools ?
Thanks *Quentin Delettre*, Ingénieur Bioinformaticien Institut de Pharmacologie moléculaire et Cellulaire UMR6097 -- CNRS 660 Route des Lucioles 06560 Valbonne phone: +33-(0)4-93-95-77-31 fax : +33-(0)4-93-95-77-08 email : delet...@ipmc.cnrs.fr
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