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Assignee: Tripos, Inc


Location: St.Louis, MO
No. of patents: 3

NumberTitleIssue Date
7212951Method for characterizing and analyzing 3-D shapes of molecules utilizing steric multiplets
Steric features inherent in the three dimensional disposition of atoms in molecules can be represented as multiplets using a defined set of steric descriptors. The resulting multiplets can be encoded in a compressed form of bitstring known as a bitmap. Such bitmaps ...
05/01/2007
7184893Method for selecting an optimally diverse library of small molecules based on validated molecular structural descriptors
The use for biological screening purposes of a subset (library) of a large combinatorially accessible chemical universe increases the efficiency of the screening process only if the subset contains members representative of the total diversity of the universe. In or...
02/27/2007
6208942Molecular hologram QSAR
A new computer implemented method for discovering structure-activity relationships has been discovered which utilizes weighted 2D fingerprints in conjunction with the PLS statistical methodology. This method produces a robust QSAR technique that can be au...
03/27/2001
 
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