基于深度图神经网络的药物-疾病关联预测方法

By constructing a drug-disease similarity matrix using a deep graph neural network and employing random walks and graph neural networks for supervised learning, the problem of insufficient prediction accuracy in drug relocation is solved, achieving more efficient drug-disease association prediction.

CN116343909BActive Publication Date: 2026-07-17NORTHEAST FORESTRY UNIV

Patent Information

Authority / Receiving Office
CN · China
Patent Type
Patents(China)
Current Assignee / Owner
NORTHEAST FORESTRY UNIV
Filing Date
2023-03-10
Publication Date
2026-07-17

AI Technical Summary

Technical Problem

Existing drug relocation methods suffer from insufficient prediction accuracy when dealing with highly sparse experimental data, and the representation of drug and disease features is inadequate, making it impossible to effectively mine potential feature information.

Method used

A deep graph neural network-based approach is adopted. A similarity matrix between drugs and diseases is constructed using a Gaussian kernel function. Supervised learning is performed using random walks and graph neural networks to extract feature representations of drugs and diseases. Feature extraction is then performed through nonlinear fully connected layers, and finally, a prediction model is constructed.

Benefits of technology

It improves the accuracy and robustness of drug-disease association prediction, reduces data sparsity, enhances the model's generalization ability, and can better obtain information on the interaction between drugs and diseases.

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Abstract

本发明公开了一种基于深度图神经网络的药物‑疾病关联预测方法,包括:得到药物和疾病的多源特征数据以及药物‑疾病的原始关联矩阵;采用高斯核函数分别构建药物和疾病的相似性矩阵,对原始关联矩阵进行随机游走;分别将药物和疾病的相似性矩阵输入至两个独立的图神经网络中进行监督学习,提取药物和疾病的特征表示;利用矩阵整合药物和疾病的特征表示,得到本次的药物‑疾病预测关联矩阵;将本次的药物‑疾病预测关联矩阵代替随机游走后的药物‑疾病关联矩阵,使两个图神经网络重复进行上述监督学习,直至满足预设优化目标,得到最终的预测模型。本发明可更好的获取药物与疾病之间的相互作用信息,提高潜在的药物‑疾病关联预测精度。
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