| Abstract
| - A 3D-QSAR technique, called the WeP (weighted probe interaction energy) method, has been developedbased on the notion that certain regions of the receptor surface contribute, to varying extents, to the differencesin the activities of the ligands, while other regions do not. The probes, placed around the surface of asuperimposed set of ligands, were associated with fractional weights, and then an optimal distribution ofprobe weights that accounts for the activity profile of the training ligands was determined using a geneticalgorithm. It has been shown for the three test samples that the pseudoreceptors, which consist of the survivingprobes with nonzero weight values, have good predictabilities. Especially, in the case of dihydrofolatereductase inhibitors, the pseudoreceptor resembles the real protein in that there is no surviving probe in thesolvent-exposed region.
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