Exposition and reactivity optimization to predict sites of metabolism in chemicals

Drug Discovery Today: Technologies

Volumn 10, Issue 1, 2013, Pages

  Cruciani, Gabriele ^a   Baroni, Massimo ^b   Benedetti, Paolo ^b   Goracci, Laura ^c   Fortuna, Cosimo Gianluca ^c  

^a UNIVERSITY OF PERUGIA   (Italy)

^b Molecular Discovery Ltd   (United Kingdom)

^c UNIVERSITY OF CATANIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BENZILIC ACID; CARTEOLOL; CINEOLE; CONCRETE; CYTOCHROME; CYTOCHROME P450 2C9; CYTOCHROME P450 2D6; CYTOCHROME P450 3A4; HEME; IMATINIB; LIGAND; RECOMBINANT ENZYME;

AB INITIO CALCULATION; ALGORITHM; BIOTRANSFORMATION; CHEMICAL REACTION; DEALKYLATION; DRUG INTERACTION; ENZYME ISOLATION; ENZYME METABOLISM; ENZYME SUBSTRATE; HUMAN; INFORMATION PROCESSING; MOLECULAR WEIGHT; QUANTITATIVE ANALYSIS; REACTION OPTIMIZATION; REVIEW; XENOBIOTIC METABOLISM;

ALGORITHMS; COMPUTER SIMULATION; CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; PHARMACEUTICAL PREPARATIONS; SOFTWARE;

EID: 84875754609     PISSN: None     EISSN: 17406749     Source Type: Journal    
DOI: 10.1016/j.ddtec.2012.11.001     Document Type: Review

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