COMP 10 |
| Considering the relatively accurate potency predictions that 3D-QSAR can afford, and the dramatically improved cost/benefit relationship that is promised by the use of topomer alignments in 3D-QSAR, it seems timely to renew exploration of these technologies' scope. Directions currently being investigated include trends in q2, r2, and especially predictivity; as a data set is systematically expanded, and the inclusion of classical descriptors such as logP and MR with the 3D-QSAR fields. |
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Computer Assisted Drug Design: Reminiscing about the Future, A Symposium Honoring Yvonne C. Martin
8:15 AM-12:20 PM, Sunday, March 25, 2007 Hyatt Regency McCormick -- 10 C/D, Oral
Division of Computers in Chemistry |