基于相似网络的中药数据分类研究

Xingying Zhai, Li Jiang, Bingtao Li, Guoliang Xu
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引用次数: 0

摘要

中医药在世界医学体系中占有重要地位。人们认为,特定疾病的治疗可能是多种成分共同作用的结果。多种成分共同作用治疗疾病,是中医治病的基本假设。剂量-效应关系理论认为药物的作用与剂量有关,是中药有效成分发现中最重要的理论。根据这一理论,只要多种有效成分具有相似的规律,生物效应就可以对应。因此,探索中药中有效成分的变化规律是基于剂量效应关系发现有效成分的关键科学问题之一。项目组提出了一个科学的假设,即可以通过有效成分的关联网络来探索其变化规律。以剂量效应理论设计的质谱法检测数据为基础,采用相关分析法对各成分的相关性进行分析,并利用相关成分构建相关网络。然后,根据聚类分析方法将成分划分到不同的子网络中,并绘制出子网络中成分的变化曲线,可视化子网络中成分的变化规律,为中药有效成分的发现奠定基础。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Study on classfication based on data of an traditional Chinese medcine by similarity network
Traditional Chinese medicine (TCM) plays an important role in the world medical system. It is believed that the treatment of specific diseases may be the result of the joint action of multiple components. It is the basic hypothesis of traditional Chinese medicine on the disease treatment that multiple ingredients work together to treat diseases. As the most important theory in the discovery of active ingredients in traditional Chinese medicine, Dose-effect relationship theory holds that the effect of drugs is related to dose. Based on this theory, biological effect can correspond to multiple active ingredients as long as they have similar rules. Therefore, it is one of the key scientific problems for the discovery of active ingredients based on dose-effect relationship to explore the change rule of active ingredients in traditional Chinese medicine. The project team put forward a scientific hypothesis that the change rule can be explored based on the correlation network of active ingredients. Based on the data detected by mass spectrometry designed with the theory of dose¬effect relationship, correlation analysis was used to analyze the correlation of ingredients, and then the correlation network was constructed with correlated ingredients. Then, ingredients were classified into different subnetwork according by clustering analysis method, and the change curve of ingredients in the subnetwork was drawn to visualize change rule of ingredients in the subnetwork, and lay the foundation for the discovery of effective components of traditional Chinese medicine.
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