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.
Patent No.:
Date of Patent:
Jun. 12, 2012
Filed:
Oct. 14, 2010
Applicants:
Randy J. Zauhar, Philadelphia, PA (US);
William J. Welsh, Princeton, NJ (US);
Inventors:
Randy J. Zauhar, Philadelphia, PA (US);
William J. Welsh, Princeton, NJ (US);
Assignee:
Other;
Attorney:
Primary Examiner:
Int. Cl.
CPC ...
G06F 19/00 (2011.01); G01N 33/48 (2006.01);
U.S. Cl.
CPC ...
Abstract
Methods related to the generation of shape signatures representing molecular shape, and using shape signatures in both ligand-based and receptor-based molecular design. Ray-tracing is used to explore the volume interior to a ligand, or the space exterior to a receptor site. Shape signatures are then probability distributions derived from the ray-traces. Shape signatures provide condensed descriptors of shape properties readily compared to each other to test for shape similarity or complementarity.