A systematic approach to stimulating metabolism in computational toxicology. I. The TIMES heuristic modelling framework

Current Pharmaceutical Design

Volumn 10, Issue 11, 2004, Pages 1273-1293

  Mekenyan, Ovanes G ^a   Dimitrov, Sabcho D ^a   Pavlov, Todor S ^a   Veith, Gilman D ^b  

^a ASSEN ZLATAROV UNIVERSITY   (Bulgaria)

^b International QSAR Foundation   (United States)

Author keywords

Metabolic activation; Metabolism simulation; Mutagenicity; QSAR; TIMES

Indexed keywords

CYTOCHROME P450 2D6; DRUG; XENOBIOTIC AGENT;

ALGORITHM; BIOTRANSFORMATION; COMPUTER MODEL; COMPUTER SIMULATION; ENZYME METABOLISM; LIVER METABOLISM; MATHEMATICAL COMPUTING; METABOLIC ACTIVATION; METABOLISM; MOLECULAR MODEL; MUTAGENICITY; PREDICTION; PRIORITY JOURNAL; PROBABILITY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; SIMULATOR; STATISTICAL ANALYSIS; TOXICITY TESTING; TOXICOLOGY; ANIMAL; CHEMICAL STRUCTURE; COMBINATORIAL CHEMISTRY; DRUG DESIGN; METHODOLOGY; MUTAGEN TESTING;

ANIMALS; COMBINATORIAL CHEMISTRY TECHNIQUES; DRUG DESIGN; MODELS, MOLECULAR; MUTAGENICITY TESTS; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TOXICOLOGY; XENOBIOTICS;

EID: 1842430781     PISSN: 13816128     EISSN: None     Source Type: Journal    
DOI: 10.2174/1381612043452596     Document Type: Review

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