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:
Sep. 26, 2006

Filed:

Oct. 11, 2002
Applicants:

William J. Egan, Framingham, MA (US);

Giorgio Lauri, Wynnewood, PA (US);

Inventors:

William J. Egan, Framingham, MA (US);

Giorgio Lauri, Wynnewood, PA (US);

Assignee:

Acclerys Software, Inc., San Diego, CA (US);

Attorney:
Primary Examiner:
Int. Cl.
CPC ...
G06F 7/00 (2006.01); G01N 33/48 (2006.01);
U.S. Cl.
CPC ...
Abstract

The polar surface area of molecules is computed without reference to three dimensional molecular structures using a linear equation incorporating counts of nitrogens, oxygens, and related atom clusters. Methods and systems for predicting intestinal absorption and blood brain barrier penetration of candidate compounds use the polar surface area and the octanol/water partition coefficient as descriptors.


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