Frontiers in pharmacology · 2025
AMFGNN: an adaptive multi-view fusion graph neural network model for drug prediction.
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He Fang, Duan Lian, Xing Guodong, Chang Xiaojing, Zhou Huixia, Yu Mengnan
Аннотация
INTRODUCTION: Drug development is a complex and lengthy process, and drug-disease association prediction aims to significantly improve research efficiency and success rates by precisely identifying potential associations. However, existing methods for drug-disease association prediction still face limitations in feature representation, feature integration, and generalization capabilities.
METHODS: To address these challenges, we propose a novel model named AMFGNN (Adaptive Multi-View Fusion Graph Neural Network). This model leverages an adaptive graph neural network and a graph attention network to extract drug features and disease features, respectively. These features are then used as the initial representations of nodes in the drug-disease association network to enable efficient information fusion. Additionally, the model incorporates a contrastive learning mechanism, which enhances the similarity and differentiation between drugs and diseases through cross-view contrastive learning, thereby improving the accuracy of association prediction. Furthermore, a Kolmogorov-Arnold network is employed to perform weighted fusion of various final features, optimizing prediction performance.
RESULTS: AMFGNN demonstrates a significant advantage in predictive performance, achieving an average AUC value of 0.9453, which reflects the model's high accuracy in prediction.
DISCUSSION: Cross-validation results across multiple datasets indicate that AMFGNN outperforms seven advanced drug-disease association prediction methods. Additionally, case studies on Hepatoblastoma, asthma and Alzheimer's disease further confirm the model's effectiveness and potential value in real-world applications.
METHODS: To address these challenges, we propose a novel model named AMFGNN (Adaptive Multi-View Fusion Graph Neural Network). This model leverages an adaptive graph neural network and a graph attention network to extract drug features and disease features, respectively. These features are then used as the initial representations of nodes in the drug-disease association network to enable efficient information fusion. Additionally, the model incorporates a contrastive learning mechanism, which enhances the similarity and differentiation between drugs and diseases through cross-view contrastive learning, thereby improving the accuracy of association prediction. Furthermore, a Kolmogorov-Arnold network is employed to perform weighted fusion of various final features, optimizing prediction performance.
RESULTS: AMFGNN demonstrates a significant advantage in predictive performance, achieving an average AUC value of 0.9453, which reflects the model's high accuracy in prediction.
DISCUSSION: Cross-validation results across multiple datasets indicate that AMFGNN outperforms seven advanced drug-disease association prediction methods. Additionally, case studies on Hepatoblastoma, asthma and Alzheimer's disease further confirm the model's effectiveness and potential value in real-world applications.