知识图谱嵌入与深度学习相结合的药物不良反应预测模型研究

Yufeng Li, Wenchao Zhao, Bo Dang, Xu Yan, Weimin Wang, Min Gao, Mingxuan Xiao
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引用次数: 0

摘要

在临床治疗中,识别药物的潜在不良反应可以帮助医生做出用药决策。针对以往研究中存在的特征高维稀疏、每种药物不良反应都需要构建独立的预测模型、预测准确率较低等问题,本文开发了一种基于知识图嵌入和深度学习的药物不良反应预测模型,可以对实验结果进行预测。涵盖药物不良反应的统一预测。知识图谱嵌入技术可以融合药物之间的关联信息,缓解特征矩阵高维稀疏的缺点,而深度学习的高效训练能力可以提高模型的预测精度。本文基于药物特征数据构建了药物不良反应知识图谱,通过分析不同嵌入策略下知识图谱的嵌入效果,选择最佳嵌入策略获取样本向量,并构建卷积神经网络模型预测药物不良反应。结果表明,在 DistMult 嵌入模型和 400 维嵌入策略下,卷积神经网络模型的预测效果最好;重复实验的平均准确率、F_1 得分、召回率和曲线下面积均优于文献报道的方法。所得到的预测模型具有良好的预测精度和稳定性,可为后期的安全用药指导提供有效参考。
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Research on Adverse Drug Reaction Prediction Model Combining Knowledge Graph Embedding and Deep Learning
In clinical treatment, identifying potential adverse reactions of drugs can help assist doctors in making medication decisions. In response to the problems in previous studies that features are high-dimensional and sparse, independent prediction models need to be constructed for each adverse reaction of drugs, and the prediction accuracy is low, this paper develops an adverse drug reaction prediction model based on knowledge graph embedding and deep learning, which can predict experimental results. Unified prediction of adverse drug reactions covered. Knowledge graph embedding technology can fuse the associated information between drugs and alleviate the shortcomings of high-dimensional sparsity in feature matrices, and the efficient training capabilities of deep learning can improve the prediction accuracy of the model. This article builds an adverse drug reaction knowledge graph based on drug feature data; by analyzing the embedding effect of the knowledge graph under different embedding strategies, the best embedding strategy is selected to obtain sample vectors; and then a convolutional neural network model is constructed to predict adverse reactions. The results show that under the DistMult embedding model and 400-dimensional embedding strategy, the convolutional neural network model has the best prediction effect; the average accuracy, F_1 score, recall rate and area under the curve of repeated experiments are better than the methods reported in the literature. The obtained prediction model has good prediction accuracy and stability, and can provide an effective reference for later safe medication guidance.
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