Frontiers in Chemistry (Sep 2022)
Cold-hot nature identification of Chinese herbal medicines based on the similarity of HPLC fingerprints
Abstract
The nature theory of Chinese herbal medicines (CHMs) is the core theory of traditional Chinese medicine (TCM). Cold-hot nature is an important part of CHM nature. It is found that the material basis of cold-hot nature is CHM ingredients. To test the scientific hypothesis that “CHMs with similar cold-hot nature should have similar material basis,” we explored an intelligent method for cold-hot nature identification of CHMs based on the feature similarity of CHM ingredients in this work. Sixty one CHMs were selected for cold-hot nature identification. High performance liquid chromatography (HPLC) was used to separate the chemical ingredients of CHMs and extract the feature information of CHM ingredients. A distance metric learning algorithm was then learned to measure the similarity of HPLC fingerprints. With the learned distance metric, cold-hot nature identification scheme (CHNIS) was proposed to build an identification model to evaluate the cold-hot nature of CHMs. A number of experiments were designed to verify the effectiveness and feasibility of the proposed CHNIS model. The total identification accuracy rate of 61 CHMs is 80.3%. The performance of the proposed CHNIS algorithm outperformed that of the compared classical algorithms. The experimental results confirmed our inference that CHMs with similar cold-hot nature had similar composition of substances. The CHNIS model was proved to be effective and feasible.
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