Data processing: measuring – calibrating – or testing – Measurement system in a specific environment – Chemical analysis
Patent
1997-10-24
2000-05-30
Hoff, Marc S.
Data processing: measuring, calibrating, or testing
Measurement system in a specific environment
Chemical analysis
702 22, 702 30, 39550033, G01N 3100
Patent
active
060701277
ABSTRACT:
A method of superposing molecular conformations of a plurality of compounds containing a plurality of characteristic groups is provided involving the steps of:
REFERENCES:
Y.C. Martin, et al., Journal of Computer-Aided Molecular Design, vol. 7, pps. 83-102, "A Fast New Approach to Pharmacophore Mapping and its Application to Dopaminergic and Benzodiazepine Agonists", 1993.
R. Carbo, et al., International Journal of Quantum Chemistry, vol. 17, pps. 1185-1189, "How Similar is a Molecule to Another? An Electron Density Measure of Similarity Between Two Molecular Structures", 1980.
W.G. Richards, et al., Chemistry in Britain, vol. 24, pps. 1141, 1143, and 1144, "Molecular Similarity", Nov., 1988.
E.E. Hodgkin, et al., International Journal of Quantum Chemistry, Quantum Biology Symposium 14, pps. 105-110, "Molecular Similarity Based on Electrostatic Potential and Electric Field", 1987.
C. Burt, et al., Journal of Computational Chemistry, vol. 11, No. 10, pps. 1139-1146, "The Application of Molecular Similarity Calculations", 1990.
T.D.J. Perkins, et al., Journal of Computer-Aided Molecular Design, vol. 9, pps. 479-490, "Molecular Surface-Volume and Property Matching to Superpose Flexible Dissimiliar Molecules", 1995.
R. Carbo, et al., International Journal of Quantum Chemistry, vol. 32, pps. 517-545, "LCAO-MO Similarity Measures and Taxonomy", 1987.
C. McMartin, et al., Journal of Computer-Aided Molecular Design, vol. 9, pps. 237-250, "Flexible Matching of Test Ligands to a 3D Pharmacophore Using a Molecular Superposition Force Field: Comparison of Predicted and Experimental Conformations of Inhibitors of Three Enzymes", 1995.
C. McMartin, et al., Journal of Computer-Aided Molecular Design, vol. 11, pps. 333-344, "QXP: Powerful, Rapid Computer Algorithms for Structure-Based Drug Design", 1997.
Kazuhiko Iwase, et al., "Molecular Superposing Procedure Useful For Searching Biaoactive Conformations Of Drugs," 19.sup.th Symposium on Chemical Information and Computer Science & 24.sup.th Symposium on Structure-Activity Relationships, Nov. 12-14, 1996, pp. 257-260, 390 (English Translation).
Hiroaki Ohoka, et al., "Evaluation of Molecular Structure Similarity by Fragment Spectra Method: Use of Subspectra," 19.sup.th Symposium on Chemical Information and Computer Science & 24.sup.th Symposium on Structure-Activity Relationships, Nov. 12-14, 1996, p. 390. (English Abstract of Paper).
Kazuhiko Iwase, et al., "Molecular Superposing Procedure Useful For Searching Biaoactive Conformations Of Drugs," 19.sup.th Symposium on Chemical Information and Computer Science & 24.sup.th Symposium on Structure-Activity Relationships, Nov. 12-14, 1996, p. 390. (English Abstract of Paper).
Kazuhiko Iwase, et al.,"Determination of Bioactive Conformation of Drugs by a New Superposing Procedure," The Pharmaceutical Society of Japan 117.sup.th Annual Meeting, Mar. 5, 1997, p. 129. (English Translation).
Hirono Shuichi
Iwase Kazuhiko
Hoff Marc S.
Kyorin Pharmaceutical Co. Ltd.
Vo Hien
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