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

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...

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Bibliographic Details
Main Authors: Giuseppe Floresta, Valeria Catalani, Vincenzo Abbate
Format: Article
Language:English
Published: Elsevier 2024-12-01
Series:Emerging Trends in Drugs, Addictions, and Health
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Online Access:http://www.sciencedirect.com/science/article/pii/S2667118224000023
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