Session: In Silico Approaches in Drug Discovery: Recent Advances in vHTS, Lead Identification, Data Mining, and ADME/Tox Prediction


Thursday, 1 June 2006: 8:20 AM-12:00 PM
Regency Ballroom A (Hyatt Regency Milwaukee)
Computational Chemistry (COMP)
In Silico Approaches in Drug Discovery: Recent Advances in vHTS, Lead Identification, Data Mining, and ADME/Tox Prediction
Invited oral papers on advances in Drug Discovery via Computational Chemistry.
Organizers:	Luke Fisher Shikha Varma-O'Brien
Presiders:	Luke Fisher Shikha Varma-O'Brien
8:20 AM	234	Ligand-based CAMD: Where do we stand after 40 years? Yvonne C. Martin
9:00 AM	235	Application of SCOPE (Statistical Conformational Occupancy analysis and Pharmacophore Elucidation) to a set of DHFR and CDK2 inhibitors Chaya Duraiswami, Chris Williams
9:40 AM	236	Prediction Accuracy Criteria in QSAR Analysis Alexander Golbraikh, Alexander Tropsha
10:20 AM		Break
10:40 AM	237	Drug Guru: A new kind of computational tool for medicinal chemists Kent D. Stewart
11:20 AM	238	Development and Validation of a Scoring Function to Evaluate and Prioritize Ligand Dockings to a Receptor Binding Site C. M. Venkatachalam