ConfDock: Atom-specific Uncertainty Quantification for Molecular Docking via Conformal Prediction
Haochang Hao, Nour Elhendawy, Yihang Wang, Lu Cheng
ConfDock provides atom-specific uncertainty quantification for molecular docking using conformal prediction, achieving narrower intervals while maintaining coverage guarantees across diverse protein-ligand systems.
bioRxiv · Aug 1, 2026 · PreprintBiochemistry