Patent Number: 6,434,490

Title: Method of generating chemical compounds having desired properties

Abstract: A computer based, iterative process for generating chemical entities with defined physical, chemical and/or bioactive properties. During each iteration of the process, (1) a directed diversity chemical library is robotically generated in accordance with robotic synthesis instructions; (2) the compounds in the directed diversity chemical library are analyzed to identify compounds with the desired properties; (3) structure-property data are used to select compounds to be synthesized in the next iteration; and (4) new robotic synthesis instructions are automatically generated to control the synthesis of the directed diversity chemical library for the next iteration.

Inventors: Agrafiotis; Dimitris K. (Exton, PA), Bone; Roger F. (Bridgewater, NJ), Salemme; Francis R. (Kennett Square, PA), Soll; Richard M. (Lawrenceville, NJ)

Assignee: 3-Dimensional Pharmaceuticals, Inc.

International Classification: B01J 19/00 (20060101); C07K 1/00 (20060101); C07B 61/00 (20060101); C07K 1/04 (20060101); G06F 17/50 (20060101); G01N 031/00 (); G01N 033/53 (); C12P 021/06 (); C12P 019/34 ()

Expiration Date: 08/13/2019