Data processing: artificial intelligence – Knowledge processing system – Knowledge representation and reasoning technique
Reexamination Certificate
2007-01-23
2007-01-23
Hirl, Joseph P. (Department: 2129)
Data processing: artificial intelligence
Knowledge processing system
Knowledge representation and reasoning technique
C702S027000, C703S012000
Reexamination Certificate
active
09773281
ABSTRACT:
Molecules are represented as one dimensional strings of atoms having a linear position and a width. One dimensional representations are compared to assess the likelihood of similarity in chemical behavior.
REFERENCES:
patent: 6295514 (2001-09-01), Agrafiotis et al.
patent: 6421612 (2002-07-01), Agrafiotis et al.
patent: 6453246 (2002-09-01), Agrafiotis et al.
patent: 6571227 (2003-05-01), Agrafiotis et al.
Ramon Carbo, How Similar is aMolecule to Another? An Electron Density Measure of Similarity between Two Molecular Structures, 1980, Journal of Quantum Chemistry, vol. XVII, 1185-1189.
A General Method Applicable to the Search for Similarities in the Amino Acid Sequence of Two Proteins,Saul B. Needleman and Christian D. Wunsch, J. Mol. Biol. (1970) 48. 443-453.
Reduced Dimensional Representations of Molecular Structure,Daniel D. Robinson, Thomas W. Barlow, and W. Graham Richards, J. Chem. Inf. Comput. Sci. 1997, 37, 939-942.
The Utilization of Reduced Dimensional Representations of Molecular Structure for Rapid Molecular Similarity Calculations,Daniel D. Robinson, Thomas W. Barlow, and W. Graham Richards, J. Chem. Inf. Comput. Sci. 1997, 37, 943-950.
Alignment of 3D-Structures by the Method of 2D-Projections,Daniel D. Robinson, Paul D. Lyne, and W. Graham Richards, J. Chem. Inf. Comput. Sci. 1999, 39, 594-600.
Three-Dimensional Quantitative Structure—Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family,David Robert, Lluis Amat, and Ramon Carbó-Dorca, J. Chem. Inf. Comput. Sci. 1999, 39, 333-344.
How Similar is a Molecule to Another? An Electron Density Measure of the Similarity between Two Compounds:Ramon Carbó; Luis Leyda, and Mariano Amau, International Journal of Quantum Chemistry, vol. XVII, 1185-1189 (1980).
Dixon Steven L.
Merz, Jr. Kenneth M.
Waldman Marvin
Accelrys Software Inc.
Hirl Joseph P.
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