AIM-DDI: A Model-Agnostic Multimodal Integration Module for Drug-Drug Interaction Prediction
About
Drug-drug interaction (DDI) prediction is a critical task in computational biomedicine, as adverse interactions between co-administered drugs can cause severe side effects and clinical risks. A key challenge is unseen-drug generalization, where interactions must be predicted for drugs not observed during training. Although multimodal DDI models exploit diverse drug-related information, their fusion mechanisms are often tied to specific prediction architectures, limiting their reuse across models. To address this, we propose AIM-DDI, an architecture-independent multimodal integration module that represents heterogeneous modality information as tokens in a shared latent space. By modeling dependencies across modality tokens through a unified fusion module, AIM-DDI enables model-agnostic integration of structural, chemical, and semantic drug signals across different DDI prediction architectures. Extensive evaluations across diverse DDI models and DrugBank-based settings show that AIM-DDI consistently improves prediction performance, with the strongest gains under the most challenging both-unseen setting where neither drug in a test pair is observed during training. These results suggest that treating multimodal integration as a reusable module, rather than a model-specific fusion component, is an effective strategy for robust unseen-drug DDI prediction.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Drug-Drug Interaction (DDI) Prediction | DrugBank one-unseen | Accuracy0.7517 | 12 | |
| Drug-Drug Interaction (DDI) Prediction | DrugBank both-unseen | Accuracy58.12 | 6 | |
| Drug-Drug Interaction prediction | DDI dataset (Both-unseen) | ACC58.12 | 6 | |
| Drug-Drug Interaction prediction | DDI Seen-Drug Setting | Accuracy (ACC)95.69 | 6 | |
| Drug-Drug Interaction prediction | DrugBank KnowDDI-based | Accuracy97.7 | 2 | |
| Drug-Drug Interaction prediction | DrugBank KGDB-DDI-based | Accuracy97.8 | 2 |