XenoSite: Accurately predicting cyp-mediated sites of metabolism with neural networks

Journal of Chemical Information and Modeling

Volumn 53, Issue 12, 2013, Pages 3373-3383

  Zaretzki, Jed ^a   Matlock, Matthew ^a   Swamidass, S Joshua ^a  

^a WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; FORECASTING; METABOLISM; MOLECULES;

ATOMIC SITES; DESCRIPTORS;

NEURAL NETWORKS;

CYTOCHROME P450; ISOENZYME; LIGAND;

ARTICLE; ARTIFICIAL NEURAL NETWORK; BIOTRANSFORMATION; CHEMISTRY; ENZYME ACTIVE SITE; ENZYME SPECIFICITY; HUMAN; METABOLISM; MOLECULAR DOCKING; MOLECULAR LIBRARY; PROBABILITY; PROTEIN BINDING; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

BIOTRANSFORMATION; CATALYTIC DOMAIN; CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; ISOENZYMES; LIGANDS; MOLECULAR DOCKING SIMULATION; NEURAL NETWORKS (COMPUTER); PROBABILITY; PROTEIN BINDING; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 84896506204     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400518g     Document Type: Article

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