Ensemble rule-based classification of substrates of the human ABC-transporter ABCB1 using simple physicochemical descriptors

Molecular Informatics

Volumn 29, Issue 3, 2010, Pages 233-242

  Demel, Michael A ^a   Kraemer, Oliver ^b   Ettmayer, Peter ^b   Haaksma, Eric ^b   Ecker, Gerhard F ^a  

^a UNIVERSITY OF VIENNA   (Austria)

^b BOEHRINGER INGELHEIM RCV GMBH AND CO KG   (Austria)

Author keywords

ABC transporter; Classification; Machine learning; P glycoprotein; Substrate

Indexed keywords

COST EFFECTIVENESS; DRUG INTERACTIONS; HYDROGEN BONDS; LEARNING SYSTEMS; LIGANDS; MACHINE LEARNING; PATTERN RECOGNITION; SUBSTRATES;

ATP BINDING CASSETTE TRANSPORTERS; ATP-BINDING CASSETTE; EFFLUX TRANSPORTER; MACHINE-LEARNING; MEMBRANE-BOUND; MODEL-BASED OPC; P-GLYCOPROTEIN; PHYSICO-CHEMICAL DESCRIPTORS; PROTEIN FAMILY; SIMPLE++;

CLASSIFICATION (OF INFORMATION);

ABC TRANSPORTER; MULTIDRUG RESISTANCE PROTEIN 1;

ACCURACY; ALGORITHM; ANALYTIC METHOD; ARTICLE; CALCULATION; HYDROGEN BOND; INTERMETHOD COMPARISON; PREDICTION; PRIORITY JOURNAL; PROTEIN ANALYSIS; SENSITIVITY AND SPECIFICITY; VALIDITY;

EID: 77952654824     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.200900079     Document Type: Article

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