Patent Document ID: 5463564
Application ID: 08306915
Patent Flag: 1

Claim One:
1. A computer based method of automatically generating compounds having a prescribed set of properties, comprising the steps of: (1) robotically synthesizing, in accordance with robotic synthesis instructions, a directed diversity chemical library comprising a plurality of chemical compounds; (2) robotically analyzing said chemical compounds to obtain structure-activity data pertaining thereto; (3) comparing, under computer control, said structure-activity data of said chemical compounds against said prescribed set of properties to identify any of said chemical compounds substantially conforming to said prescribed set of properties; (4) classifying, under computer control, said identified chemical compounds as lead compounds; (5) analyzing, under computer control, said structure-activity data of said compounds and historical structure-activity data pertaining to compounds synthesized and analyzed in the past to derive structure-activity models having enhanced predictive and discriminating capabilities; (6) identifying, under computer control and in accordance with said structure-activity models, reagents from a reagent database that, when combined, will produce a set of compounds predicted to exhibit activity/properties more closely matching said prescribed set of properties; (7) generating, under computer control, robotic synthesis instructions that, when executed, enable robotic synthesis of said set of compounds; and (8) repeating steps (1)-(7), wherein step (1) is repeated using said generated robotic synthesis instructions.