Discovering DTI and DDI by Knowledge Graph with MHRW and Improved Neural Network

Drug discovery is of great significance in medical and biological research, while the study of Drug-Target Interaction (DTI) and Drug-Drug Interaction (DDI) can help accelerate drug discovery progress. This paper proposes a new hybrid method for DTI prediction and DDI prediction, which is called MHRW2Vec-TBAN that combines graph representation learning and neural network. MHRW2VecTBAN first constructs knowledge graph KG-DTI and KG-DDI that integrate data related to drugs and targets. Then, an improved graph representation learning model, MHRW2Vec model, is used to obtain feature vectors of reflecting the network structure information for improving the performance of representation learning. Finally, the feature vectors obtained are input to the improved neural network model TextCNN-BiLSTM-Attention Network (TBAN). The experimental results show that, compared with other existing methods, our method could discover more deeper the relationship between drugs and their potential neighborhoods, and has great improvements in DTI prediction and DDI prediction. In addition, the case study of prediction COVID-19 DTI also shows that the proposed model has the potential for actual drug discovery.