Relative proportions of edges in protein-ligand interaction graphs (IMAGE)

University of Bonn

Relative proportions of edges in protein-ligand interaction graphs

Caption

determining predictions of six GNNs for different affinity subregions. The color-coded bars compare the mean proportions of protein, ligand and interaction edges among the top 25 edges of each prediction determined with EdgeSHAPer. 

Credit

Image: A. Mastropietro and J. Bajorath

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