Towards DDIs Identification by Knowledge Graph with BiRW and Back Aggregation
Yin Zhuang, Xiaoli Lin, Xiaolong Zhang · 2022 IEEE International Conference on Bioinformatics and Biomedicine (BIBM) · 2022
Effective identification of potential drug-drug interactions (DDIs) can prevent adverse effects caused by DDIs to a certain extent. This paper proposes the new hybrid method for predicting DDIs, which is called BiRW-KGBAN that combines bidirectional random walk and back aggregation based on knowledge graph. BiRW-KGBAN first constructs two knowledge graph KG-DrugBank and KG-KEGG that integrate data related to drugs. Then, an improved sampling method based on bidirectional random walk (BiRW) is used to sample the neighborhood information of drugs, including directly connected entities, related semantic relations and potential information. In addition, the path with drug as the center node is also extracted. Finally, two improved back aggregation model KGBAN1 and KGBAN2 are used to obtain the final embedded representation of the drugs. The experiments show that, compared with other existing methods, our method could obtain the higher-order topological information and the deeper potential neighborhood information of drugs, and has great improvements in DDIs prediction. The case study also shows that the proposed method has the potential for actual DDIs prediction.