System, method, and computer program product for at least partially automatically generating chemical compounds with desired properties from a list of potential chemical compounds to synthesize

Patent 5901069 Issued on May 4, 1999. Estimated Expiration Date:

August 1, 2017. Estimated Expiration Date is calculated based on simple USPTO term provisions. It does not account for terminal disclaimers, term adjustments, failure to pay maintenance fees, or other factors which might affect the term of a patent.

Abstract Claims Description Full Text

Patent References

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Inventors

Assignee

3-Dimensional Pharmaceuticals, Inc.

Application

No. 904737 filed on 08/01/1997

US Classes:

700/268, Synthesis process422/187, Combined423/659, MISCELLANEOUS PROCESS436/43, AUTOMATED CHEMICAL ANALYSIS702/27Molecular structure or composition determination

Examiners

Primary: Kemper, Melanie A.

Attorney, Agent or Firm

Sterne, Kessler, Goldstein & Fox, P.L.L.C.

Foreign Patent References

0355628 EP. 10/14/1989
0355266 EP. 02/14/1990
WO 91/19735 WO. 12/14/1991
WO 92/00091 WO. 01/14/1992
WO 93/20242 WO. 10/14/1993

International Class

G06F 017/50

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.

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