Similarity measures for rational set selection and analysis of combinatorial libraries: The diverse property-derived (DPD) approach

Journal of Chemical Information and Computer Sciences

Volumn 37, Issue 3, 1997, Pages 599-614

  Lewis, Richard A ^a   Mason, Jonathan S ^a   McLay, Lain M ^a  

^a SANOFI   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; COMPARATIVE STUDY; COMPUTER PROGRAM; DRUG DESIGN; DRUG SCREENING; EVALUATION; FACTUAL DATABASE; METHODOLOGY; PHYSICAL CHEMISTRY; STRUCTURE ACTIVITY RELATION;

CHEMISTRY, PHYSICAL; DATABASES, FACTUAL; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; EVALUATION STUDIES; SOFTWARE; SOFTWARE DESIGN; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0031133147     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci960471y     Document Type: Article

References (36)

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2. Preliminary communications of this work have appeared in the following: (a) Mason, J. S.; McLay, I. M.; Lewis, R. A. Applications of Computer-Aided Drug Design Techniques to Lead Generation. In New Perspectives in Drug Design; Dean, P. M., Jolies, G., Newton, C. G., Eds.; Academic Press: London, 1995; Chapter 12, pp 225-253. (b) Ashton, M. J.; Jaye, M. C.; Mason, J. S. New Perspectives in Lead Generation II: Evaluating Molecular Diversity. Drug Discovery Today 1996, 2, 71-78. (c) Lewis, R. A.; McLay, I. M.; Mason, J. S. Diverse Property-derived Sets: A novel method for selecting representative screening sets using molecular and physicochemical properties. Chemical Design Automation News 1995, 10, 37-38.
3. Preliminary communications of this work have appeared in the following: (a) Mason, J. S.; McLay, I. M.; Lewis, R. A. Applications of Computer-Aided Drug Design Techniques to Lead Generation. In New Perspectives in Drug Design; Dean, P. M., Jolies, G., Newton, C. G., Eds.; Academic Press: London, 1995; Chapter 12, pp 225-253. (b) Ashton, M. J.; Jaye, M. C.; Mason, J. S. New Perspectives in Lead Generation II: Evaluating Molecular Diversity. Drug Discovery Today 1996, 2, 71-78. (c) Lewis, R. A.; McLay, I. M.; Mason, J. S. Diverse Property-derived Sets: A novel method for selecting representative screening sets using molecular and physicochemical properties. Chemical Design Automation News 1995, 10, 37-38.
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