Exploring the biomedical interactions for chemical compounds and protein targets is crucial for drug discovery. Determining these drug–drug interactions (DDI) and drug–target interactions (DTI) not only reveals the potential synergistic effects of drug combinations and improves drug efficacy, but also contributes to drug reuse, reduces drug development costs, and improves drug development efficiency. Therefore, predicting interactions among drugs and drug targets is an important topic in the field of drug discovery.
