EDDINet: Enhancing drug–drug interaction prediction via information flow and consensus constrained multi-graph contrastive learning
Hong Wang, Luhe Zhuang, Yijie Ding, Prayag Tiwari, Liang Cheng · Artificial Intelligence in Medicine · 2024
Predicting drug–drug interactions (DDIs) is crucial for understanding and preventing adverse drug reactions (ADRs). However, most existing methods inadequately explore the interactive information between drugs in a self-supervised manner, limiting our comprehension of drug–drug associations. This paper introduces EDDINet : E nhancing D rug- D rug I nteraction Prediction via Information Flow and Consensus-Constrained Multi-Graph Contrastive Learning for precise DDI prediction. We first present a cross-modal information-flow mechanism to integrate diverse drug features, enriching the structural insights conveyed by the drug feature vector. Next, we employ contrastive learning to filter various biological networks, enhancing the model’s robustness. Additionally, we propose a consensus regularization framework that collaboratively trains multi-view models, producing high-quality drug representations. To unify drug representations derived from different biological information, we utilize an attention mechanism for DDI prediction. Extensive experiments demonstrate that EDDINet surpasses state-of-the-art unsupervised models and outperforms some supervised baseline models in DDI prediction tasks. Our approach shows significant advantages and holds promising potential for advancing DDI research and improving drug safety assessments. Our codes are available at: https://github.com/95LY/EDDINet_code . • EDDINet is proposed via Information Flow and Consensus-Constrained Multi-Graph Contrastive Learning. • Introduce the cross-modal information-flow mechanism to facilitate the information across various drug features. • EDDINet surpasses state-of-the-art unsupervised models and even outperforms some supervised baseline models in DDI prediction tasks.