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目的:探寻植物类中药中有机成分化合物次级基团与植物类中药寒热属性的相关性。方法:利用现有文献提供的信息资料,通过文献检索收集植物类中药化学成分信息,利用化学信息学对资料进行整理,运用多种数据统计分析与挖掘方法分析化学信息数据,建立Logistic回归方程,对植物类中药寒热属性进行判别。结果:以有机成分化合物次级基团建立的Logistic回归方程,可以对植物类中药的寒热属性进行判别。结论:植物类中药寒热药性与有机成分具有相关性。
OBJECTIVE: To explore the correlation between the secondary groups of organic compounds and the cold and heat properties of plant-based traditional Chinese medicines. Methods: Using the information materials provided by the existing literature, we collected the information of the chemical constituents of Chinese herbal medicines through literature search, sorted out the data by using chemical informatics, analyzed the chemical information data by various data statistical analysis and mining methods, established Logistic regression equation, Cold-heat plant properties of traditional Chinese medicine to determine. Results: The logistic regression equation established by the secondary groups of organic compounds can be used to distinguish the cold and heat properties of plant-based traditional Chinese medicines. Conclusion: There is a correlation between the cold-warming medicinal properties and organic components of plant Chinese herbal medicines.