Contrastive learning-based multi-mechanism disentangled assessment for drug-drug interaction
Comprehensive evaluations demonstrate that MMDDI with hit@4 of 0.86 outperforms the compared baselines, with ablation studies validating the critical contributions of multi-view contrastive and mechanism disentanglement. MMDDI continues to demonstrate excellent performance in cold-start scenarios, achieving accuracy of 0.94 and recall of 0.95. Clinically, MMDDI enables interpretable causal analysis of drug interaction pathways through its mechanism-aware representations, providing operability for optimizing therapeutic regimens.
Authors
- Jinxiong Zhang (ORCID: https://orcid.org/0000-0002-8733-4622)
- Chunyan Tang (ORCID: https://orcid.org/0000-0002-0073-6363)
- Hao Wen (ORCID: https://orcid.org/0000-0002-8856-0883)
- Yang Liu (ORCID: https://orcid.org/0000-0001-7300-9215)
- Yunjv Zeng
- Cheng Zhong (ORCID: https://orcid.org/0000-0002-5560-2151)
Institutions
- Guangxi University (CN)
Publication Details
- Journal
- BMC Bioinformatics
- Published
- 2025-11-27
- DOI
- https://doi.org/10.1186/s12859-025-06304-z
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Science Foundation
- National Natural Science Foundation of China
- Guangxi University