COMP 11 |
| Structure-activity relationship (SAR) or quantitative structure-activity relationship (QSAR) studies play an important role in a lead optimization in drug discovery research. Outliers are often observed in SAR or QSAR studies. However, the reasons for such outliers are often speculated, and the sources of these outliers are often unclear. Here, we discuss some possible sources of such outliers in SAR or QSAR and suggest that some of the outliers are expected in some cases.
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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 |