Comparison of multilabel and single-label classification applied to the prediction of the isoform specificity of cytochrome p450 substrates

Journal of Chemical Information and Modeling

Volumn 49, Issue 11, 2009, Pages 2588-2605

  Michielan, Lisa ^a   Terfloth, Lothar ^b   Gasteiger, Johann ^b,c   Moro, Stefano ^a  

^a UNIVERSITY OF PADOVA   (Italy)

^b Molecular Networks GmbH   (Germany)

^c UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

FORECASTING; METABOLISM; NEAREST NEIGHBOR SEARCH; SUPPORT VECTOR MACHINES;

COUNTER PROPAGATION NEURAL NETWORKS; CROSS VALIDATION; CYTOCHROME P450; DRUG-DRUG INTERACTIONS; MODELING TECHNIQUE; MOLECULAR DESCRIPTORS; MULTI-LABEL K-NEAREST NEIGHBORS; VARIABLE SELECTION;

DRUG INTERACTIONS;

CYTOCHROME P450;

ARTICLE; COMPARATIVE STUDY; ENZYME SPECIFICITY; METABOLISM; THEORETICAL MODEL;

CYTOCHROME P-450 ENZYME SYSTEM; MODELS, THEORETICAL; SUBSTRATE SPECIFICITY;

EID: 72949110641     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900299a     Document Type: Article

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