Efficient combinatorial filtering for desired molecular properties of reaction products

Journal of Molecular Graphics and Modelling

Volumn 18, Issue 4-5, 2000, Pages 478-496

  Shi, Shenghua ^a   Peng, Zhengwei ^a   Kostrowicki, Jaroslaw ^a   Paderes, Genevieve ^a   Kuki, Atsuo ^a  

^a AGOURON PHARMACEUTICALS INC   (United States)

Author keywords

Combinatorial; Filtering; Library design; Molecular properties; Products; Reactants; Reaction

Indexed keywords

ADDITIVES; FILTRATION; HIERARCHICAL SYSTEMS; LIBRARIES; MOLECULAR STRUCTURE; VAN DER WAALS FORCES; ALGORITHMS; COMBINATORIAL MATHEMATICS; COMPUTER SYSTEMS PROGRAMMING; DATABASE SYSTEMS;

COMBINATORIAL FILTERING;

MOLECULAR GRAPHICS; MOLECULAR DYNAMICS;

SOLVENT;

ALGORITHM; ARTICLE; CALCULATION; CHEMICAL REACTION; COMBINATORIAL CHEMISTRY; COMPUTER AIDED DESIGN; CONFORMATIONAL TRANSITION; FILTRATION; HYDROGEN BOND; MOLECULAR MODEL; PRIORITY JOURNAL; SYNTHESIS;

ALGORITHMS; COMBINATORIAL CHEMISTRY TECHNIQUES; DRUG DESIGN; MODELS, CHEMICAL;

EID: 0034351498     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(00)00069-3     Document Type: Article

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