Fragment-based prediction of cytochromes P450 2D6 and 1A2 inhibition by recursive partitioning

SAR and QSAR in Environmental Research

Volumn 20, Issue 3-4, 2009, Pages 185-205

  Burton, J ^a,b   Danloy, E ^a   Vercauteren, D P ^a  

^a UNIVERSITY OF NAMUR   (Belgium)

^b AUREUS PHARMA   (France)

Author keywords

Chemical space; Cytochrome P450; Electron density; Recursive partitioning; Structural fragments

Indexed keywords

DECISION TREES; ELECTRON DENSITY MEASUREMENT; FORECASTING;

ABSORPTION DISTRIBUTION METABOLISM AND EXCRETIONS; CHEMICAL SPACE; CYTOCHROMES P450; DRUG CANDIDATES; DRUG DISCOVERY; LARGE DATABASE; PROPERTY; RECURSIVE PARTITIONING; SPEED UP; STRUCTURAL FRAGMENTS;

CARRIER CONCENTRATION;

CYTOCHROME P450 1A2; CYTOCHROME P450 2D6;

ARTICLE; DRUG ANTAGONISM; DRUG TOXICITY; HUMAN; METHODOLOGY; TOXICOLOGY;

CYTOCHROME P-450 CYP1A2; CYTOCHROME P-450 CYP2D6; DRUG TOXICITY; HUMANS; TOXICOLOGY;

EID: 67949099093     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629360902726650     Document Type: Article

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