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Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening

[Image: see text] Integration of statistical learning methods with structure-based modeling approaches is a contemporary strategy to identify novel lead compounds in drug discovery. Hepatic organic anion transporting polypeptides (OATP1B1, OATP1B3, and OATP2B1) are classical off-targets, and it is w...

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Detalles Bibliográficos
Autores principales:	Tuerkova, Alzbeta, Bongers, Brandon J., Norinder, Ulf, Ungvári, Orsolya, Székely, Virág, Tarnovskiy, Andrey, Szakács, Gergely, Özvegy-Laczka, Csilla, van Westen, Gerard J. P., Zdrazil, Barbara
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9795544/ https://www.ncbi.nlm.nih.gov/pubmed/35274943 http://dx.doi.org/10.1021/acs.jcim.1c01460

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