Author

Marco Buglione

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Open access Jul 2026

Machine-learning-based pIC50 prediction identifies novel acetylcholinesterase inhibitors among FDA-approved drugs

Sensitivity analysis confirmed the robustness of the binary activity threshold across alternative cut-offs, and an ablation study demonstrated that the combined Mordred–Morgan feature set yields better cross-validation performance than either descriptor family alone.

Sveva Bonomi, Marco Buglione, Crescenzo Edoardo Mauriello et al. · Machine Learning: Health · 0 citations