CINFThursday, August 23, 2007

1:30 PM-8:25 PM BCEC -- 252 A, Oral
General Papers
Organizer:Leah R. Solla
1:30 PMEvaluation of 3-D descriptors in virtual screening
Xia Ning, George Karypis
1:55 PMRelative chirality index: Novel approach for the numerical characterization of molecular chirality
Ramanathan Natarajan, Subhash C. Basak
2:20 PMAn address book for chemical space: The Chemical Structure Lookup Service (CSLS)
Markus Sitzmann, Igor V. Filippov, Wolf-Dietrich Ihlenfeldt, Marc C. Nicklaus
2:45 PMSpectral reference databases: Traditional, open access, or somewhere in between?
Gregory M. Banik, Leo Collins, Marie Scandone, Ty Abshear
3:10 PMProtein-ligand interaction fingerprints: Method, user interface and case studies
Alex M. Clark
3:35 PMUsing the PDBML schema to disambiguate PDB files
Howard J Feldman
4:00 PMVisualizing biological activity profiles using target affinity maps
Fabian Bendix, Vlad Sladariu, Thierry Langer, Gerhard Wolber
4:25 PMTautomer and conformer focusing in structure-based drug discovery
Hongyao Zhu

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The 234th ACS National Meeting, Boston, MA, August 19-23, 2007