Scoring protein-ligand binding structures through learning atomic graphs with inter-molecular adjacency
Fig 7
The screening performances of AGIMA-Score and competing models on the HIVPR, ADA17 and SRC sets, with the top ranked ligands considered.
In each scenario, the enrichment factors (EFs) regarding various decoy-to-active ratios (rDTA) were calculated for each model, and plotted in a line. The black dashed lines indicate EF = 1.