Drug-drug interactions (DDIs) are a major concern in clinical practice, as they can lead to reduced therapeutic efficacy or severe adverse effects. Traditional computational approaches often struggle to capture the complex relationships among drugs, targets, and biological entities. In this work, we propose HGNN-DDI, a heterogeneous graph neural network model designed to predict potential DDIs by integrating multiple drug-related data sources. HGNN-DDI leverages graph representation learning to model heterogeneous biomedical networks, enabling effective information propagation across diverse node and edge types. Experimental results on benchmark DDI datasets demonstrate that HGNN-DDI outperforms state-of-the-art baselines in prediction accuracy and robustness, highlighting its potential to support safer drug development and precision medicine.
@article{arxiv.2508.18766,
title = {Predicting Drug-Drug Interactions Using Heterogeneous Graph Neural Networks: HGNN-DDI},
author = {Hongbo Liu and Siyi Li and Zheng Yu},
journal= {arXiv preprint arXiv:2508.18766},
year = {2025}
}
Comments
12 pages, 5 figures. Published in Applied and Computational Engineering, Vol. 79, pp. 77-89, July 25, 2024. Licensed under CC BY 4.0