Patent ID: 6434490
Filing Date: 2002-08-13
Classification: A61P,B01J,C07K,C40B,G16B,G16C,Y10T

Abstract:
A method for at least partially automatically generating compounds having at least a prescribed set of properties, comprising the steps of:(1) robotically synthesizing a directed diversity chemical library comprising a plurality of chemical compounds; (2) analyzing said chemical compounds to obtain structure-activity data pertaining thereto; (3) comparing said structure-activity data of said chemical compounds against said prescribed set of properties to identify any of said chemical compounds conforming to said prescribed set of properties; (4) classifying said identified chemical compounds as lead compounds; (5) analyzing said structure-activity data of said lead compounds and historical structure-activity data pertaining to compounds synthesized and analyzed in the past to derive structure-activity models having predictive and discriminating capabilities; (6) identifying, in accordance with said structure-activity models, reagents that, when combined, will produce a first set of compounds predicted to exhibit activity/properties more closely matching said prescribed set of properties; (7) generating robotic synthesis instructions that, when performed, enable robotic synthesis of said first set of compounds; and (8) robotically synthesizing a new directed diversity chemical library comprising a plurality of chemical compounds using said generated synthesis instructions and repeating steps (2) through (7).