| Abstract
| - Adequate conformational searching of small molecules and inclusion of a chirality identifier are necessaryfeatures of any current technique for quantitative structure−activity relationships (QSAR). However,implementation of these features can be difficult and computationally expensive, and some techniques canstill lead to insufficient treatment of molecular conformation. We select the standard systematic conformationalsearch as the default search method for our recent 3D QSAR program, DAPPER, and develop a novelchirality metric for use in QSAR. These techniques are implemented in DAPPER and validated on standarddata sets.
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