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Fingerprint-Based Machine Learning Approach to Identify Potent and Selective 5-HT(2B)R Ligands

The identification of subtype-selective GPCR (G-protein coupled receptor) ligands is a challenging task. In this study, we developed a computational protocol to find compounds with 5-HT(2B)R versus 5-HT(1B)R selectivity. Our approach employs the hierarchical combination of machine learning methods,...

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Detalles Bibliográficos
Autores principales:	Rataj, Krzysztof, Kelemen, Ádám Andor, Brea, José, Loza, María Isabel, Bojarski, Andrzej J., Keserű, György Miklós
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6100008/ https://www.ncbi.nlm.nih.gov/pubmed/29748476 http://dx.doi.org/10.3390/molecules23051137

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