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:
Feb. 01, 2005

Filed:

May. 04, 2000
Applicants:

Raymond L. H. Lam, Mississauga, CA;

William J. Welch, Waterloo, CA;

Sidney Stanley Young, Raleigh, NC (US);

Inventors:

Raymond L. H. Lam, Mississauga, CA;

William J. Welch, Waterloo, CA;

Sidney Stanley Young, Raleigh, NC (US);

Assignee:

Smithkline Beecham Corporation, Philadelphia, PA (US);

Attorney:
Primary Examiner:
Assistant Examiner:
Int. Cl.
CPC ...
G06G 748 ; G06G 758 ; G06F 1710 ;
U.S. Cl.
CPC ...
Abstract

A cell-based binning method ('Data Driven' binning method) allows the inclusion of all molecules, generates a high percentage of occupied cells, and provides adequate division of the molecules in the low-dimensional subspaces (typically all one-dimension (1-D), two-dimension (2-D), and three-dimension (3-D) subspaces). A chemical space coverage criterion ('Uniform Cell Coverage (UCC)' criterion) measures the uniformity of coverage of the molecules selected. A fast exchange design algorithm (“fast exchange UCC” algorithm) that minimizes the number of searches of the candidate points while maximizing the number of exchanges during each pass through the candidate points. This method is many times faster than previous exchange algorithms and generates designs with good coverage properties.


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