A. Bechini

Hybrid Ensemble Learning and XAI for Cholinesterase Inhibitor Prediction in Alzheimer’s Therapy: An Interpretable Ligand-Based Framework

Cholinesterase inhibition remains a central strategy in symptomatic therapy for neurodegenerative disorders, yet robust ligand-based prioritization under realistic chemical generalization settings remains challenging. In this study, we developed a scaffold-aware ensemble framework to predict the inhibitory activity of...