Figure 3.

Network visualization of the novel DTIs predicted using DeepCPI

DeepCPI was trained on DrugBank data and used to predict novel DTIs (not recorded in DrugBank). A. A network comprising the top 200 novel DTI predictions. B. A network comprising 71 novel DTIs with literature support among the top 100 DTI predictions. Purple and yellow circles represent targets and drugs, respectively. Gray lines represent the known interactions derived from DrugBank, and red dashed lines represent the novel interactions predicted using DeepCPI. DTI, drug–target interaction.