Hypergraph-based Self-supervised Multi-channel Network for Drug-target Interaction Prediction

Xiaoting Zeng, Liang Yu, Peng Yang, Weilin Chen, Baiying Lei · 2024

Drug-target interaction (DTI) prediction is vital for drug discovery and repurposing. Hypergraph is utilized in DTI prediction for modeling higher-order relationships in biomedical networks. Although the strategies of modeling hypergraph-based drug-related interactions with multi-channel and utilizing self-supervised learning task to improve DTI prediction performance have been proven promising, current researches fail to effectively model feature interaction across different channels and fully exploit cross-channel information for self-supervised task. In this study, we propose a hypergraph-based self-supervised multi-channel interaction framework HSMI-DTI for DTI prediction. HSMI-DTI aims to extract hypergraph features effectively and model cross-channel correlations, leveraging hierarchical self-supervised learning to uncover the discover correlations between different channels. We compare HSMI-DTI with advanced baselines, and experiment results show our model outperforms existing methods, thereby optimizing DTI prediction performance.

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