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

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

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

Afiliação

Montanari F; Pharmacoinformatics Research Group, Department of Pharmaceutical Chemistry, University of Vienna, Althanstraße 14, 1090 Vienna, Austria.
Zdrazil B; Pharmacoinformatics Research Group, Department of Pharmaceutical Chemistry, University of Vienna, Althanstraße 14, 1090 Vienna, Austria.
Digles D; Pharmacoinformatics Research Group, Department of Pharmaceutical Chemistry, University of Vienna, Althanstraße 14, 1090 Vienna, Austria.
Ecker GF; Pharmacoinformatics Research Group, Department of Pharmaceutical Chemistry, University of Vienna, Althanstraße 14, 1090 Vienna, Austria.

J Cheminform ; 8: 7, 2016.

Article em En | MEDLINE | ID: mdl-26855674

Palavras-chave

BCRP; Binary relevance; Classifiers chain; KNIME; Multi-label classification; Open Data; Open PHACTS; P-glycoprotein; Polyspecific inhibition; Selective inhibition

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2016 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2016 Tipo de documento: Article