Feng Ouyang Xu

US Patent:

6895340, May 17, 2005

Filed:

Apr 11, 2002

Appl. No.:

10/120738

Inventors:

Feng Xu - Cheshire CT, US
Steven E. Klohr - Glastonbury CT, US
David Detlefsen - New Hope PA, US

Assignee:

Bristol-Myers Squibb Company - Princeton NJ

International Classification:

G01N031/00

US Classification:

702 27, 702 19, 702 31, 702 79, 424 93, 424 9361, 324307, 324310, 436 1, 436 2, 436 50, 436 55, 600410, 600416, 505844, 505845

Abstract:

An analytical method and apparatus using principal component analysis of nuclear magnetic resonance (NMR) data for rapid molecular structure/function pattern recognition. The presence of a molecular substructure in an organic compound is determined by comparing principal components calculated from chemical shift values of the substructure in selected compounds with those calculated from the chemical shift values of the organic compound. Alternatively, principal components are calculated from the intensities of NMR signals for a full spectrum, or selected regions thereof, to determine whether an organic compound belongs to or is excluded from a set of structurally related compounds. Also, the presence of a pharmacophore in an organic compound can be determined by comparing the principal components derived from data on a set of compounds known to bind to a particular receptor, or have a common biological effect, with the principal components of the data set of the organic compound.

US Patent:

20070073504, Mar 29, 2007

Filed:

Sep 25, 2006

Appl. No.:

11/526474

Inventors:

Feng Xu - Cheshire CT, US
Anthony Alexander - Cheshire CT, US
Christopher Bernard - Cheshire CT, US

International Classification:

G01F 25/00

US Classification:

702100000

Abstract:

A configurable component handling device and a method for implementing the configurable component handling device is provided, wherein the configurable component handling device includes a chromatograph and a plurality of processing modules, wherein the chromatograph and each of the plurality of processing modules are communicated with each via at least one configurable flow actuation device to allow for directional flow control of a sample solution between the plurality of processing modules, the method includes introducing a sample solution into the configurable component handling device and processing the sample solution via the configurable component handling device to isolate a desired component.