BioinformaticsBriefings in BioinformaticsPeer-reviewed
Leveraging Scaffold Information to Predict Protein-ligand Binding Affinity with an Empirical Graph Neural Network
Chunqiu Xia, Shihao Feng, Ying Xia…·Hong‐Bin Shen
This paper introduces EGNA, an empirical graph neural network for predicting protein-ligand binding affinity, showing improved accuracy over existing methods on benchmark datasets.