Revealing Key Structural Features for Developing New Agonists Targeting δ Opioid Receptor: Combined Machine Learning and Molecular Modeling Perspective

Medicine in Drug Discovery（2024）

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摘要

Unveiling Three Key Structural Features involved in inhibitory bioactivities of Agonists Targeting δ Opioid Receptor

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关键词

δ Opioid Receptor,Machine learning,QSAR,Ligand–Receptor Contacts,Non-Linear Regression,XGBOOST

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