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    • Fingerprint-Based Machine Learning Approach to Identify Potent and Selective 5-HT2BR Ligands 

      Rataj, Krzysztof; Andor Kelemen, Ádám; Brea Floriani, José Manuel; Loza García, María Isabel; Bojarski, Andrzej J.; Keserű, György Miklós (MDPI, 2018)
      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-HT2BR versus 5-HT1BR selectivity. Our ...

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