Fig. 8: Examples of BiteNet prediction errors on the Glycosil transferase protein family (IPR000811).
From: Spatiotemporal identification of druggable binding sites using deep learning
a Low scored false positive predictions, for which there are no bound ligands. b False negative predictions, that is absence of predictions in the proximity of the bound ligand. c Similar predictions may correspond to both the true positive and false positive predictions depending on the presence (PDB ID: 3GPB) or absence (PDB ID: 1FU7) of the bound ligand. d Catalytic site with two ligands is predicted either as two (PDB ID: 1LWN) or single (PDB ID: 5GPB) binding sites, resulting in false negative predictions. BiteNet predictions are depicted with spheres colored from white to red with respect to the probability score, and ligands are depicted with magenta, yellow and purple sticks.
