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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Bibliografske podrobnosti
izdano v:Molecules
Main Authors: Rataj, Krzysztof, Kelemen, Ádám Andor, Brea, José, Loza, María Isabel, Bojarski, Andrzej J., Keserű, György Miklós
Format: Artigo
Jezik:Inglês
Izdano: MDPI 2018
Teme:
Article
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC6100008/
https://ncbi.nlm.nih.gov/pubmed/29748476
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules23051137
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