Identification method for prohibited drugs based on x-ray absorption spectroscopy and machine learning

This study explores a new method for identifying prohibited drugs using X-ray Absorption Spectroscopy (XAS) detection and machine learning algorithms. A laboratory-developed scientific equipment was employed to obtain x-ray absorption spectra of ten different chemical substances, including various isomers of prohibited drugs. Principal Component Analysis (PCA) was then applied to extract the spectral features, minimizing data redundancy. Subsequently, the Extreme Learning Machine (ELM) combined with the Sparrow Search Algorithm (SSA) was utilized for analysis. The results demonstrate that this method can accurately identify prohibited drugs, even excelling in automatically identifying isomers. This research offers a novel and promising technique for quick non-destructive drug detection.

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Publication Details

Published
2025-01-10
DOI
https://doi.org/10.1117/12.3056972
Primary Topic
Analytical Methods in Pharmaceuticals
Type
article
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Identification method for prohibited drugs based on x-ray absorption spectroscopy and machine learning

Shiliang Song, Shuangshuang Li, Mingke Lu, Zheng Fang et al.
Analytical Methods in Pharmaceuticals
article

Identification method for prohibited drugs based on x-ray absorption spectroscopy and machine learning

Shiliang Song, Shuangshuang Li, Mingke Lu, Zheng Fang, Siyuan Chen, Hui Yan, Jingxuan Xu
article en

Abstract

This study explores a new method for identifying prohibited drugs using X-ray Absorption Spectroscopy (XAS) detection and machine learning algorithms. A laboratory-developed scientific equipment was employed to obtain x-ray absorption spectra of ten different chemical substances, including various isomers of prohibited drugs. Principal Component Analysis (PCA) was then applied to extract the spectral features, minimizing data redundancy. Subsequently, the Extreme Learning Machine (ELM) combined with the Sparrow Search Algorithm (SSA) was utilized for analysis. The results demonstrate that this method can accurately identify prohibited drugs, even excelling in automatically identifying isomers. This research offers a novel and promising technique for quick non-destructive drug detection.

Xiamen University (CN)
Openalex Percentile: Top 100%
Analytical Methods in Pharmaceuticals
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