Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning

Floriane Montanari, Barbara Zdrazil, Daniela Digles, Gerhard F Ecker

    Publications: Contribution to journalArticlePeer Reviewed

    Original languageEnglish
    Article number7
    Pages (from-to)7
    Number of pages13
    JournalJournal of Cheminformatics
    Volume8
    Issue number1
    DOIs
    Publication statusPublished - 4 Feb 2016

    Austrian Fields of Science 2012

    • 301207 Pharmaceutical chemistry

    Keywords

    • ABCG2
    • BCRP
    • Binary relevance
    • Classifiers chain
    • GLYCOPROTEIN
    • KNIME
    • Multi-label classification
    • ONTOLOGY
    • Open Data
    • Open PHACTS
    • P-glycoprotein
    • PREDICTION
    • Polyspecific inhibition
    • Selective inhibition

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