The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.

The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.

Date of Patent:
May. 29, 2001

Filed:

Jul. 20, 1997
Applicant:
Inventors:

Richard D. Cramer, O'Fallon, MO (US);

David E. Patterson, St. Louis, MO (US);

Assignee:

Tripos, Inc., St. Louis, MO (US);

Attorney:
Primary Examiner:
Assistant Examiner:
Int. Cl.
CPC ...
G06F 1/00 ; G06F 3/00 ; G06F 7/00 ; G06F 7/06 ;
U.S. Cl.
CPC ...
G06F 1/00 ; G06F 3/00 ; G06F 7/00 ; G06F 7/06 ;
Abstract

The problem of how to select out of a large chemically accessible universe molecules representative of the diversity of that universe is resolved by the discovery of a method to validate molecular structural descriptors. Using the validated descriptors, optimally diverse subsets can be selected. In addition, from the universe, molecules with characteristics similar to a selected molecule can be identified. The validated descriptors also enable the generation of a huge virtual library of potential product molecules which could be formed by combinatorial arrangement of structural variations and cores. In this virtual library it is possible to search billions of possible product compounds in relatively short time frames.


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