Affiliation:
1. Shandong University of Traditional Chinese Medicine, Ministry of Education of China, Key Laboratory of Theory of TCM, Jinan 250355, China
Abstract
Abstract
Background
The nature of Chinese herbal medicines (CHMs) is a bridge between traditional Chinese medicine and clinical application. Accurate nature identification of CHMs is essential for guiding the clinical application of CHMs.
Objective
To develop a new method for nature identification of CHMs according to compounds in CHMs.
Methods
The nature of a CHM is a comprehensive manifestation of the properties of various compounds in the CHM. In this study, 2012 CHM compounds were extracted to construct a compound data set. Molecular descriptors were utilized to build an identification model for classification of the cold-hot-neutral nature of CHM compounds.
Results
The predictive accuracy and confusion matrix were validated using the assembled data set. The best model produced accuracies of 96.5 ± 0.5% and 86.5 ± 1.5% on training set and test set, respectively. Furthermore, the identification model is robust in predicting the cold-hot-neutral nature of CHM compounds.
Conclusion
This work shows how a classification model for medical nature identification can be developed. The derived model can be utilized for the application of CHMs.
Highlights
To construct a nature identification model for analysis of the cold-hot-neutral nature of CHMs according to the compounds in CHMs.
Funder
national key basic research development program
National Natural Science Foundation of China
Key research and development plan of Shandong province
Shandong Province TCM science and technology development plan project
Publisher
Oxford University Press (OUP)
Subject
Pharmacology,Agronomy and Crop Science,Environmental Chemistry,Food Science,Analytical Chemistry
Cited by
4 articles.
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