most citedOn Machine Learning Approaches for Protein-Ligand Binding Affinity Prediction

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q-bio.BM2024★ 1 cited

On Machine Learning Approaches for Protein-Ligand Binding Affinity Prediction

Nikolai Schapin, Carles Navarro, Albert Bou +1

Binding affinity optimization is crucial in early-stage drug discovery. While numerous machine learning methods exist for predicting ligand potency, their comparative efficacy rema…