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基于拉曼光谱结合 PCA-SVM 算法的各种碳酸盐和硫酸盐矿物药的分类鉴别研究。

Study on the classification and identification of various carbonate and sulfate mineral medicines based on Raman spectroscopy combined with PCA-SVM algorithm.

机构信息

Department of Combination of Mongolian Medicine and Western Medicine Stomatology, Affiliated Hospital of Inner Mongolia University for the Nationalities, Tongliao, 028043, China.

National Key Laboratory of Science and Technology on Tunable Laser, Harbin Institute of Technology, Harbin, 150080, China.

出版信息

Anal Sci. 2023 Feb;39(2):241-248. doi: 10.1007/s44211-022-00224-1. Epub 2022 Dec 16.

Abstract

The efficacy of mineral medicines varies greatly between different origins. Therefore, investigating a method to quickly identify similar mineral medicines is meaningful. In this paper, a visual classification and identification model of Raman spectroscopy combined with principal component analysis (PCA) and support vector machine (SVM) algorithms was developed to rapidly classify and identify carbonate and sulfate mineral medicines. The results reveal that although the Raman spectra are too similar to distinguish by naked eye, the PCA-SVM algorithm can perform accurate classification and identification, and its accuracy, precision, recall and F1-score parameters all reach 100%. The proposed method is rapid, accurate, nondestructive, convenient, portable, and low cost, and has important application value for the classification, identification and quality supervision of various carbonate and sulfate mineral medicines.

摘要

矿物药的疗效因产地不同而有很大差异。因此,研究一种快速鉴定相似矿物药的方法是有意义的。本文建立了一种基于拉曼光谱结合主成分分析(PCA)和支持向量机(SVM)算法的矿物药可视化分类鉴定模型,用于快速分类鉴定碳酸盐和硫酸盐矿物药。结果表明,尽管拉曼光谱非常相似,肉眼无法区分,但 PCA-SVM 算法可以进行准确的分类和鉴定,其准确率、精密度、召回率和 F1 评分参数均达到 100%。该方法快速、准确、无损、方便、便携、成本低,对各种碳酸盐和硫酸盐矿物药的分类、鉴定和质量监督具有重要的应用价值。

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