A reliability-aware evidential fusion model combines four docking engines and produces well-calibrated confidence scores that enable selective prediction with up to 25.7% error reduction.
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Ballester and John B
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Trustworthy Protein-Ligand Binding Affinity Prediction via Reliability-Aware Multi-Engine Fusion
A reliability-aware evidential fusion model combines four docking engines and produces well-calibrated confidence scores that enable selective prediction with up to 25.7% error reduction.