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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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| Publicado en: | Molecules |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
MDPI
2018
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| Assuntos: | |
| Acceso en liña: | 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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