基于手持近红外光谱和多层极限学习机算法的甲基苯丙胺药物不同来源的快速识别

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2022-10-25 DOI:10.1177/09670335221130433
Jianqiang Zhang, Jun Yang, Jin Chen, Junxun Hu, Shuangyan Yang
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引用次数: 0

摘要

对毒品来源的快速识别可以提供有价值的线索,并为确定毒品案件的性质提供依据。本文提出了一种利用手持近红外光谱仪和多层极限学习机算法快速无损地识别甲基苯丙胺毒品来源的新方法。与传统的线性判别分析(LDA)、极限学习机(ELM)分类和偏最小二乘(PLS)回归算法相比,所提出的ML-ELM算法的准确度、精密度、灵敏度和F分数更高。ML-ELM算法的预测精度分别比LDA、ELM和PLS回归高25.0%、15.3%和18.1%。用于识别甲基苯丙胺药物不同来源的ML-ELM模型具有最好的泛化能力和预测结果。实验结果表明,手持近红外技术与ML-ELM算法相结合,可以快速、准确、无损地识别甲基苯丙胺的不同来源。
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Rapid recognition of different sources of methamphetamine drugs based on hand-held near infrared spectroscopy and multi-layer-extreme learning machine algorithms
The rapid recognition of the sources of the drugs can provide valuable clues and provide the basis for determining the nature of a drug case. Here, a novel recognition method was put forward to identify the source of methamphetamine drugs rapidly and non-destructively by using a hand-held near infrared (NIR) spectrometer and a multi-layer-extreme learning machine (ML-ELM) algorithm. The accuracy, precision, sensitivity, and F-score were higher with the proposed ML-ELM algorithm than in traditional linear discriminant analysis (LDA), extreme learning machine (ELM) classification, and partial least squares (PLS) regression algorithms. The prediction accuracy of ML-ELM algorithm is 25.0%, 15.3% and 18.1% higher than that of LDA, ELM and PLS regression, respectively. The ML-ELM models for recognizing the different sources of methamphetamine drugs had the best generalization ability and prediction results. The experimental results indicated that the combination of hand-held NIR technology and ML-ELM algorithm can recognize the different sources of methamphetamine drugs rapidly, accurately, and non-destructively.
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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