Can we really do computer-aided drug design?

Journal of Computer-Aided Molecular Design

Volumn 26, Issue 1, 2012, Pages 121-124

  Segall, Matthew ^a  

^a OPTIBRIUM LTD   (United Kingdom)

Author keywords

Drug discovery; Multi parameter optimisation; Quantitative structure activity relationship; Quantum mechanics

Indexed keywords

COMPUTATION THEORY; DECISION MAKING; QUANTUM THEORY; STRUCTURAL OPTIMIZATION;

COMPUTATIONAL MODELLING; COMPUTER AIDED DRUG DESIGN; DESIGN PARADIGM; DRUG DISCOVERY; MULTI-PARAMETER OPTIMIZATIONS; POTENTIAL VALUES; PREDICTIVITY; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; SYNTHESISED; UNCERTAINTY;

COMPUTATIONAL METHODS;

COMPUTER AIDED DESIGN; COMPUTER SIMULATION; DRUG DESIGN; DRUG DEVELOPMENT; DRUG RESEARCH; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; PREDICTIVE VALUE; PRIORITY JOURNAL; PROCESS MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM MECHANICS; REVIEW; STRUCTURE ANALYSIS;

EID: 84857449411     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9512-3     Document Type: Review

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