Multi-View Contrastive Learning for Drug-Drug Interaction Event Prediction.

Abstract

Drug-drug interactions (DDIs) represent a critical challenge in pharmacology, often leading to adverse effects and compromised therapeutic efficacy. Accurate prediction of DDI events, which involve not only identifying interacting drug pairs but also characterizing the specific nature and context of their interactions, is essential for drug safety and personalized medicine. In this study, we propose a novel Multi-view Contrastive Learning framework, namely MCL-DDI, for DDI Event Prediction by leveraging multi-view representations of drugs to enhance predictive performance. MCL-DDI integrates molecular structures and network features, capturing complementary information about drug properties and interactions. By employing contrastive learning, we align and unify drug representations across these diverse views, enabling the framework to distinguish complex interaction patterns. Extensive experiments on benchmark datasets demonstrate that MCL-DDI outperforms state-of-the-art methods in terms of predictive accuracy. Furthermore, case studies highlight the model's ability to identify clinically relevant DDIs, offering practical insights for drug development and risk assessment. Our work establishes a robust and accurate paradigm for DDI event prediction, paving the way for safer and more effective pharmacological interventions.