A Novel Drug-Drug Interaction Prediction Model Based on Line Subgraph Generation Strategy

Drug-Drug Interaction (DDI) prediction task is helpful for better-understanding drugs. In this paper, we propose a novel drug-drug interaction prediction model based on line subgraph generation strategy, named DDI-LSG model. Our DDI-LSG model consists of three main parts which include drug relation graph construction, line subgraph generation strategy, and graph-level classification. To consider more relationships among drugs, we propose a node feature-enhancing method to encode drug features in drug relation graph construction process. To consider drugs and DDI as equivalent factors of our DDI-LSG model, we introduce line graph transformation to integrate DDI with drug feature enhancing vector. Combining Jaccard similarity with cosine similarity, we propose a line subgraph generation strategy to evaluate node relation and extract key structures around target DDI in the line graph. Then, we reformulate the DDI prediction task into a graph-level classification task for the line subgraph of the target DDI. Therefore, in the final part of our DDI-LSG model, we use a graph-level classifier to classify the line subgraphs. Our DDI-LSG model outperforms better experiment results than baselines. Ablation results have validated the node feature enhancing method and line subgraph generation strategy.