CINF 31 |
| Many current discovery programs incorporate pharmaceutics properties (e.g., solubility, permeability, and lipophilicity) into their hit identification and lead optimization testing cascades. However, the uses of these properties are often limited to a pass/fail criterion. Upon candidate nomination, a broader range of laboratory activities are initiated including physical (salt/crystal) form selection and formulation development. The development scientist charged with advancing an optimized formulation of the nominated compound often has little or no control over the single most critical aspect of his charge: the molecular entity. Recently introduced screening techniques attempt to address this deficiency by incorporating standardized physical form and formulation tests into the lead optimization process, at the cost of significantly increasing compound requirements before compound nomination. This presentation will explore the concepts implemented in software tools for modeling solution-phase properties, their ability to address solid-phase properties, and their impact on bridging the gap between discovery data and development decisions. |
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Herman Skolnik Award Symposium
8:30 AM-12:00 PM, Monday, August 20, 2007 BCEC -- 252 A, Oral
Division of Chemical Information |