BioinformaticsbioRxivPreprint
Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction
Lyuwei Wang, Jianlin Jack Cheng
This paper introduces PLABench, a benchmarking framework for protein-ligand binding affinity prediction, revealing that structural input and training scale alone do not ensure cross-target generalization.
DOI 10.64898/2026.09.17.752433