Fig. 2

Diagram of methods of applying algorithms on link prediction. In processes A, B and D, chemicals of TM were colored in orange and approved drugs in blue. Circle nodes labeled with “C” meant chemicals and hexagons labeled with “T” meant targets. Black lines represented the connection between chemicals and targets from known knowledge. A meant the dataset from the curated database. In B, two individual networks were connected by integrating the links between chemicals and targets to form the CCT and PPI, which were labeled as green lines. C shown here mainly reflects the operating principle of node2vec. In D, new predicted interactions were labeled as red solid and dashed edges. In this research, we paid attention to the interaction between chemicals of TM and targets of approved drugs, which were labeled as red solid lines