Data processing: measuring – calibrating – or testing – Measurement system in a specific environment – Chemical analysis
Reexamination Certificate
2007-05-15
2007-05-15
Moran, Marjorie A. (Department: 1631)
Data processing: measuring, calibrating, or testing
Measurement system in a specific environment
Chemical analysis
Reexamination Certificate
active
09546399
ABSTRACT:
A novel extension of the vector space model for computing chemical similarity is described. In one embodiment, a method calculates similarity between molecules and molecular descriptors using the singular value composition (SVD) of a molecule/descriptor matrix and, for example, an identity matrix, to create a low dimensional representation of the original descriptor space. Probe or query molecules then can be projected into the low dimensional representation and compared to the molecules from the original matrix.
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Fluder, Jr. Eugene M.
Hull Richard D.
Kearsley Simon K.
Nachbar Robert B.
Sheridan Robert P.
Axontologic, Inc.
Moran Marjorie A.
Wilmer Cutler Pickering Hale and Dorr LLP
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