Classification of cytochrome P450 activities using machine learning methods

Molecular Pharmaceutics

Volumn 6, Issue 6, 2009, Pages 1920-1926

  Hammann, Felix ^a   Gutmann, Heike ^a   Baumann, Ulli ^a   Helma, Christoph ^b   Drewe, Juergen ^a  

^a UNIVERSITY HOSPITAL BASEL   (Switzerland)

^b UNIVERSITY OF FREIBURG   (Germany)

Author keywords

Artificial neural network; Cytochrome P450; Decision trees; Drug design; Drug safety; k nearest neighbors; Machine learning; QSAR; Random forest; Support vector machine

Indexed keywords

CYTOCHROME P450; CYTOCHROME P450 1A2; CYTOCHROME P450 2D6; CYTOCHROME P450 3A4; XENOBIOTIC AGENT;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CORRECTED CLASSIFICATION RATE; DECISION TREE INDUCTION; ENZYME ACTIVITY; K NEAREST NEIGHBOR; MACHINE LEARNING; MOLECULAR INTERACTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RADIAL BASED FUNCTION; RANDOM FOREST; SUPPORT VECTOR MACHINE;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; CYTOCHROME P-450 CYP1A2; CYTOCHROME P-450 CYP2D6; CYTOCHROME P-450 ENZYME SYSTEM; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 71949083397     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/mp900217x     Document Type: Article

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