Author

Cameron Yeagle

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Open access Jan 2026

An algebraic graph neural network model for protein-ligand binding affinity prediction

An Algebraic Graph Neural Network model designed to encode molecular structures into a low-dimensional graph representation while preserving critical biochemical interactions is introduced, demonstrating superior performance in binding affinity prediction compared to state-of-the-art scoring functions.

Augustine Ouru, Xi Chen, Cameron Yeagle et al. · Computational and Mathematic... · 0 citations