Drug-Drug interaction

Create Graph：we collected asymmetric drug-drug interaction (DDI) entries from version 5.1.12 of DrugBank, released on March 14, 2024. After a thorough double-check, we removed drugs with incorrect SMILES strings or those that could not be represented by Morgan fingerprints . This filtering resulted in a dataset containing 1,752 drugs and 508,512 asymmetric interactions. Subsequently, we organized the DDI entries into a directed interaction network, where directed edges represent the asymmetric interactions between drugs.