吴胜男, 王璐琦, 王欣瑶, 吴佳辉, 蒋环宇. 基于二分网络加权投影的急性鼻咽炎中药配伍规律挖掘及组合用药预测[J]. 实用临床医药杂志, 2024, 28(14): 30-37. DOI: 10.7619/jcmp.20241509
引用本文: 吴胜男, 王璐琦, 王欣瑶, 吴佳辉, 蒋环宇. 基于二分网络加权投影的急性鼻咽炎中药配伍规律挖掘及组合用药预测[J]. 实用临床医药杂志, 2024, 28(14): 30-37. DOI: 10.7619/jcmp.20241509
WU Shengnan, WANG Luqi, WANG Xinyao, WU Jiahui, JIANG Huanyu. Exploration of compatibility rules of traditional Chinese medicine and prediction of combination medication for acute rhinopharyngitis based on weighted projection of bipartite networks[J]. Journal of Clinical Medicine in Practice, 2024, 28(14): 30-37. DOI: 10.7619/jcmp.20241509
Citation: WU Shengnan, WANG Luqi, WANG Xinyao, WU Jiahui, JIANG Huanyu. Exploration of compatibility rules of traditional Chinese medicine and prediction of combination medication for acute rhinopharyngitis based on weighted projection of bipartite networks[J]. Journal of Clinical Medicine in Practice, 2024, 28(14): 30-37. DOI: 10.7619/jcmp.20241509

基于二分网络加权投影的急性鼻咽炎中药配伍规律挖掘及组合用药预测

Exploration of compatibility rules of traditional Chinese medicine and prediction of combination medication for acute rhinopharyngitis based on weighted projection of bipartite networks

  • 摘要:
    目的 从二分网络加权投影角度挖掘中药方剂配伍规律, 提出一种新的挖掘中药配伍规律的方法, 并预测新型药物组合, 为指导临床治疗急性鼻咽炎用药提供依据。
    方法 以中医药综合数据库(TCMID)中的急性鼻咽炎方剂数据为数据源, 通过提取方剂和药物构建二分网络, 继而使用加权投影得到药物网络投影图, 结合二分网络加权投影进行社会网络分析, 基于皮尔逊相关性进行系统聚类的研究方法挖掘中药"君臣佐使"的配伍规律, 并使用链路预测进行核心药物预测。
    结果 二分网络加权投影与皮尔逊相关性进行系统聚类分析相结合的方式在中药方剂的配伍规律研究中作用显著。在链路预测中, 选用11个链路预测指标, 区分加权与无权算法后最终计算出的加权指标曲线下面积(AUC)大于无权指标, 且在加权指标中, AUC最大指标为网络资源分配指标, 预测出7组药物组合, 包括白头翁与毛诃子、安息香与石椒草、白花茶与附子等。
    结论 二分网络加权投影方法在揭示中药配伍规律与药物组合预测方面具有一定实用性和有效性。

     

    Abstract:
    Objective To propose a new method for mining compatibility rules of traditional Chinese medicine (TCM) formulation from the perspective of weighted projection of bipartite networks, and to predict the combination of new drugs to provide a basis for guiding the clinical treatment of acute nasopharyngitis.
    Methods Using the acute nasopharyngitis prescription data in the Traditional Chinese Medicine Integrated Database (TCMID) as the data source, a bipartite network is constructed by extracting the prescription and drug nodes.A drug network projection map was then obtained using weighted projection.Social network analysis was performed combined with weighted projection of bipartite networks, and compatibility rules of "Jun-Chen-Zuo-Shi" in TCM via hierachical cluster analysis based on Pearson correlation.Besides, link prediction was used for core drug prediction.
    Results The combination of bipartite network weighted projection and Pearson correlation for systematic clustering analysis played a significant role in the study of the compatibility rules of TCM prescriptions.In link prediction, 11 link prediction indicators were selected, and weighted and unweighted algorithms were distinguished.The final calculation showed that the area under the curve (AUC) of the weighted indicators were generally higher than that of the unweighted network.Among the weighted indicators, the indicator with the highest AUC index was the network resource allocation Index.A total of 7 groups of drug combinations were predicted, including Baitouweng-Maokezi, Anxixiang-Shijiaocao, Baihuacha-Fuzi, etc.
    Conclusion The bipartite network weighted projection method is practical and effective in revealing the compatibility rules of TCM and predicting drug combination.

     

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