MRLF-DDI: A Multi-View Representation Learning Framework for Drug-Drug Interaction Event Prediction
Accurately predicting drug-drug interaction events (DDIEs) is critical for improving medication safety and guiding clinical decision-making. However, existing graph neural network (GNN)-based methods often struggle to effectively integrate multi-view features and generalize to novel or understudied drugs. To address these limitations, we propose MRLF-DDI, a multi-view representation learning framework that jointly models information from individual drug features, local interaction contexts, and global interaction patterns. MRLF-DDI introduces the use of atom-level structural features enriched with bond angle information-marking the first incorporation of this geometry-aware feature in DDIE prediction. It further employs a multi-granularity GNN and a gated knowledge transfer strategy to enhance feature learning and cold-start generalization. Extensive experiments on benchmark datasets demonstrate that MRLF-DDI achieves superior performance in both warm-start and cold-start scenarios. Case studies and visualization analyses further highlight its practical utility in identifying clinically relevant DDIEs.
Authors
- Qichang Zhao (ORCID: https://orcid.org/0000-0002-8319-9793)
- Xiao Liang (ORCID: https://orcid.org/0000-0001-5476-8304)
- Jian Zhong (ORCID: https://orcid.org/0009-0007-0010-3949)
- Haochen Zhao (ORCID: https://orcid.org/0000-0001-8794-3148)
- Jianxin Wang (ORCID: https://orcid.org/0000-0003-1516-0480)
Institutions
- Central South University (CN)
Publication Details
- Journal
- IEEE Journal of Biomedical and Health Informatics
- Published
- 2025-07-24
- DOI
- https://doi.org/10.1109/jbhi.2025.3592643
- Citations
- 1
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 1.50