Generation of multiple pharmacophore hypotheses using multiobjective optimisation techniques

Journal of Computer-Aided Molecular Design

Volumn 18, Issue 11, 2004, Pages 665-682

  Cottrell, Simon J ^a   Gillet, Valerie J ^a   Taylor, Robin ^b   Wilton, David J ^a  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE   (United Kingdom)

Author keywords

Alignment; Conformational analysis; Evolutionary algorithms; MOGA; Molecular overlay; Multiobjective genetic algorithm; Multiobjective optimisation; Pharmacophore identification

Indexed keywords

CONFORMATIONS; GENETIC ALGORITHMS; LIGANDS; PHARMACODYNAMICS;

CONFORMATIONAL ANALYSIS; MOGA; MOLECULAR OVERLAY; MULTI-OBJECTIVE OPTIMIZATION TECHNIQUES; MULTI-OBJECTIVES GENETIC ALGORITHMS; MULTI-OBJECTIVES OPTIMIZATION; PHARMACOPHORE IDENTIFICATION; PHARMACOPHORES; STRUCTURE-ACTIVITY RELATIONSHIPS; SYNTHETIC COMPOUNDS;

MULTIOBJECTIVE OPTIMIZATION;

DOPAMINE 2 RECEPTOR BLOCKING AGENT; HYDROLYASE INHIBITOR; SEROTONIN 1D AGONIST;

ALGORITHM; ANALYTIC METHOD; ARTICLE; COMPUTER SYSTEM; CONTROLLED STUDY; DRUG CONFORMATION; DRUG STRUCTURE; HYPOTHESIS; MOLECULAR EVOLUTION; PHARMACOPHORE; PRIORITY JOURNAL; PROCESS OPTIMIZATION;

EID: 15844366918     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10822-004-5523-7     Document Type: Article

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