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.

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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

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article

Contrastive learning-based multi-mechanism disentangled assessment for drug-drug interaction

Jinxiong Zhang, Chunyan Tang, Hao Wen, Yang Liu et al.
BMC Bioinformatics
Computational Drug Discovery Methods
article

Contrastive learning-based multi-mechanism disentangled assessment for drug-drug interaction

Jinxiong Zhang, Chunyan Tang, Hao Wen, Yang Liu, Yunjv Zeng, Cheng Zhong
article en

Abstract

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.

BMC BioinformaticsVol. 26(1)
Guangxi University (CN)
National Science Foundation, National Natural Science Foundation of China, Guangxi University
Openalex Percentile: Top 63%
Computational Drug Discovery Methods
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