31. CHEMSPACE VERSUS BIOLOGICAL ACTIVITY. J. Wang, S. K. White, Ligand Pharmaceuticals, San Diego, CA, 92121
A great deal of effort has been spent on the differentiation of chemical structure, defining molecular diversity. The majority of methods use molecular descriptors of 2D information, molecular fingerprints, topological descriptors, etc. More recently, chemical sructure has been mapped in a 3-dimensional pharmacophore space. The use of several techniques using various sets of receptor screening data will be presented as validation for specific methods.