Computational modeling of P450s for toxicity prediction

Expert Opinion on Drug Metabolism and Toxicology

Volumn 7, Issue 10, 2011, Pages 1211-1231

  Mishra, Nitish Kumar ^a  

^a UNIVERSITY OF ICELAND   (Iceland)

Author keywords

ADMET; Adverse drug reactions; Cytochrome P450; Drugdrug interactions; Machine learning; Partial least square; Quantitative structureactivity relationship

Indexed keywords

CYTOCHROME P450 INHIBITOR; DRUG METABOLIZING ENZYME;

BINDING AFFINITY; COMPUTER AIDED DESIGN; DRUG CLEARANCE; DRUG DESIGN; DRUG HALF LIFE; DRUG INDUSTRY; DRUG METABOLISM; DRUG TRANSFORMATION; ENZYME SPECIFICITY; HUMAN; IC 50; LIGAND BINDING; MACHINE LEARNING; MOLECULAR DOCKING; NONHUMAN; PHARMACOPHORE; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; STEREOCHEMISTRY;

ALGORITHMS; ANIMALS; ARTIFICIAL INTELLIGENCE; COMPUTER SIMULATION; CYTOCHROME P-450 ENZYME SYSTEM; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; DRUG INTERACTIONS; DRUG TOXICITY; ENDPOINT DETERMINATION; HUMANS; MODELS, ANIMAL; MODELS, CHEMICAL; PHARMACEUTICAL PREPARATIONS;

EID: 80052980227     PISSN: 17425255     EISSN: 17447607     Source Type: Journal    
DOI: 10.1517/17425255.2011.611501     Document Type: Review

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