Jonathan Mark Sutter

US Patent:

20050136450, Jun 23, 2005

Filed:

Sep 30, 2004

Appl. No.:

10/955900

Inventors:

Jonathan Sutter - Vista CA, US
Allister Maynard - La Jolla CA, US
Marvin Waldman - San Diego CA, US

International Classification:

C12Q001/68
G06F019/00
G01N033/48
G01N033/50

US Classification:

435006000, 702019000, 702022000

Abstract:

Methods and systems for generating pharmacophore models are characterized both by molecular features that are present in the model and features that are defined as absent. Thus, models can be developed that take into account features such as steric bulk that inhibit activity for a specified target as well as features such as functional groups that promote activity. Features that inhibit activity can be identified by comparing known active molecules with known inactive molecules. Features that are present in the inactive molecules but absent in the active molecules can be defined in a pharmacophore model.

US Patent:

20050053978, Mar 10, 2005

Filed:

Jun 10, 2004

Appl. No.:

10/865676

Inventors:

Allister Maynard - La Jolla CA, US
Jonathan Sutter - Vista CA, US
Marvin Waldman - San Diego CA, US

International Classification:

C12Q001/68
G06F019/00
G01N033/48
G01N033/50
G01N031/00

US Classification:

435006000, 702020000, 702022000

Abstract:

Methods and systems for generating pharmacophore models are characterized both by molecular features that are present in the model and features that are defined as absent. Thus, models can be developed that take into account features such as steric bulk that inhibit activity for a specified target as well as features such as functional groups that promote activity. Features that inhibit activity can be identified by comparing known active molecules with known inactive molecules. Features that are present in the inactive molecules but absent in the active molecules can be defined in a pharmacophore model.