Research on Key Molecules of Cold and Hot Properties Chinese Herbal Medicine Based on Improved Atomic Association Rules Algorithm and Hierarchical Clustering Algorithm.

The theory of Chinese Herbal Medicine (CHM) properties is the basis to guide the use of CHM. However, this theory is based on the long-term practice experience of Chinese ancient healers, which is constantly challenged due to the lack of support from modern scientific theories. This study used data mining technology to analyze the molecular characteristics of cold and hot properties based on the molecular data set of CHM. Firstly, we put forward an improved atomic association rules algorithm to screen key molecules related to cold and hot properties. Secondly, the hierarchical clustering algorithm was used to analyze the key molecules. The experimental results showed that the key molecules related to the cold property of CHM were mainly polycyclic compounds, and the key molecules related to the hot property of CHM were mainly monocyclic or acyclic compounds.