Fig. 6: Visualization of attention scores of all the residues in the four randomly selected drug-target complexes.
From: Evidential deep learning-based drug-target interaction prediction
a–d The correctly predicted amino acid residues surrounding the corresponding ligands (sticks) are highlighted. The residues around the corresponding ligands that were correctly predicted are highlighted in the figure. Their color indicates the degree of contribution of these residues to the prediction results. 3D representations of all structures were visualized using Pymol software.
