Author

R. Sepahvand

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Open access Sep 2026

RA-PLA: Retrieval-augmented graph convolutional networks for protein-ligand binding affinity prediction

A novel end-to-end framework that retrieves hard protein-ligand pairs—samples whose nearest neighbors have conflicting labels under manifold smoothness constraints—and integrates them via a semi-supervised graph convolutional network (GCN) that consistently outperforms state-of-the-art approaches.

Karim Abbasi, Hossein Banadkuki, R. Sepahvand et al. · PLoS ONE · 0 citations