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| Similarity Measurement of Traditional Chinese Medicine Components for Cold-hot Nature Discrimination |
Wei Guohui1,2,Zhang Fengcong1,Fu Xianjun1,Wang Zhenguo1( ) |
1Key Laboratory of Theory of TCM, Ministry of Education of China, Shandong University of Traditional Chinese Medicine, Jinan 250355, China
2School of Science and Engineering, Shandong University of Traditional Chinese Medicine, Jinan 250355, China |
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Abstract [Objective] This paper tries to measure the similarity of traditional Chinese medicine components, and then establish a discriminant method for their cold and hot natures.[Methods] Traditional Chinese medicines with similar compositions have similar medicinal properties. Therefore, we used ultraviolet spectra to characterize their components and retrieved the UV spectrum data of 61 traditional Chinese medicines. Then, we used the Mahalanobis distance to measure the similarities of these UV spectrum data. Finally, we constructed a prediction and recognition model for cold and hot natures based on the majority voting algorithm.[Results] We evaluated the proposed model with cross validation and extrapolation techniques. With the solvent of petroleum ether, areas under the ROC curve of cross validation and extrapolated prediction were 0.883 and 0.866. Predictive accuracies of cross validation and extrapolated prediction were 0.754 and 0.776. With multi-solvent comprehensive analysis, the accuracies of cross validation and extrapolation were 0.672 and 0.686.[Limitations] The data size of our study needs to be expanded.[Conclusions] The proposed model could effectively identify ultraviolet spectrum of traditional Chinese medicine components.
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Received: 26 August 2019
Published: 15 June 2020
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Corresponding Authors:
Wang Zhenguo
E-mail: zhenguow@126.com
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