Oriented substituent pharmacophore property space (OSPPREYS): A substituent-based calculation that describes combinatorial library products better than the corresponding product-based calculation

Journal of Molecular Graphics and Modelling

Volumn 18, Issue 4-5, 2000, Pages 383-403

  Martin, Eric J ^a   Hoeffel, Thomas J ^a  

^a NOVARTIS PHARMA AG   (Switzerland)

Author keywords

3D pharmacophore; 3D similarity; Combinatorial chemistry; Combinatorial library design; Descriptor; Molecular diversity; Molecular similarity; Multidimensional scaling; Oriented substituent

Indexed keywords

MOLECULAR GRAPHICS; PHARMACODYNAMICS; COMBINATORIAL MATHEMATICS; COMPUTATIONAL METHODS; COMPUTER SYSTEMS PROGRAMMING; DATABASE SYSTEMS;

LIBRARY DESIGNS; COMBINATORIAL CHEMISTRY; COMBINATORIAL LIBRARIES; ORIENTED SUBSTITUENT PHARMACOPHORE PROPERTY SPACE (OSPPREYS);

DRUG THERAPY; MOLECULAR DYNAMICS;

FUNCTIONAL GROUP;

ARTICLE; CALCULATION; CHEMICAL BOND; COMBINATORIAL CHEMISTRY; CONFORMATIONAL TRANSITION; DATA BASE; MOLECULAR RECOGNITION; PHARMACOPHORE; PRIORITY JOURNAL; SAMPLING; STRUCTURE ACTIVITY RELATION;

COMBINATORIAL CHEMISTRY TECHNIQUES; DATABASES, FACTUAL; DRUG DESIGN; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0034351494     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(00)00064-4     Document Type: Article

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