Evidence-based successful example of a structure-based approach for the prediction of designer fentanyl-like molecules

• Hoofdauteurs: Giuseppe Floresta (Auteur), Valeria Catalani (Auteur), Vincenzo Abbate (Auteur)
• Formaat: Boek
• Gepubliceerd in: Elsevier, 2024-12-01T00:00:00Z.
• Onderwerpen: article
• Online toegang: Connect to this object online.

In 2019, we published three innovative quantitative structure-activity relationship models (QSAR) for predicting the affinity of mu-opioid receptor (µOR) ligands. The three different models were then combined to produce a consensus model used to explore the chemical landscape of 3000 virtual fentany...