Spectral Pattern Recognition of Sedative-Hypnotic Drugs in the Perspective of Drug Safety

Wei Hou; Jifen Wang; Leiping Zhang; Xinyu He; Yilin Xie

doi:10.3788/LOP202259.0530004

Laser & Optoelectronics Progress, Volume. 59, Issue 5, 0530004(2022)

Spectral Pattern Recognition of Sedative-Hypnotic Drugs in the Perspective of Drug Safety

Wei Hou¹, Jifen Wang^1、*, Leiping Zhang², Xinyu He¹, and Yilin Xie²

Author Affiliations

¹School of Investigation, People's Public Security University of China, Beijing 100038, China

²Institute of Forensic Science, Ministry of Public Security, Beijing 100038, China

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Figures & Tables(8)

Fig. 1. Infrared spectra of three kinds of sedative-hypnotic drugs. (a) Clozapine; (b) promethazine; (c) phenobarbital

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Fig. 2. Classification accuracies of three kinds of sedative-hypnotic drugs under different regions of derivative spectra. (a) First derivative spectra; (b) second derivative spectra

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Fig. 3. Classification accuracy of intermediate fusing spectrum under RF model

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Fig. 4. Two-dimensional distribution map of three kinds of sedative-hypnotic drugs

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Fig. 5. Infrared spectra of four unknown samples. (a) M₁; (b) M₂; (c) M₃; (d) M₄

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Table 1. Classification accuracies of three kinds of sedative-hypnotic drugs under different regions of original spectra
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Table 1. Classification accuracies of three kinds of sedative-hypnotic drugs under different regions of original spectra
Spectra Classification accuracy /%
Training set Test set
DT RBF RF DT RBF RF
Full 81.25 64.06 75.00 67.85 60.71 76.92
Fingerprint 82.81 78.57 79.68 71.42 71.43 77.78
Functional group 68.75 67.19 71.88 53.57 64.28 70.37

Table 2. Classification accuracy of three kinds of sedative-hypnotic drugs under different types of fusion

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Table 2. Classification accuracy of three kinds of sedative-hypnotic drugs under different types of fusion

Item		Classification accuracy
Item		Average fusion	Difference fusion	Tandem fusion
DT	Q₁	65.22	65.22	93.48
	Q₂	65.22	65.22	89.13
	Q₃	65.22	65.22	93.48
RBF	Q₁	65.22	65.22	65.22
	Q₂	65.22	65.22	65.22
	Q₃	65.22	65.22	78.26
RF	Q₁	86.96	86.96	95.65
	Q₂	86.96	86.96	89.13
	Q₃	84.78	84.78	93.48

Table 3. Classification results of four unknown samples
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Table 3. Classification results of four unknown samples
Sample Benzodiazepine Barbiturate Phenothiazine
M₁ √
M₂ √
M₃ √
M₄ √

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Wei Hou, Jifen Wang, Leiping Zhang, Xinyu He, Yilin Xie. Spectral Pattern Recognition of Sedative-Hypnotic Drugs in the Perspective of Drug Safety[J]. Laser & Optoelectronics Progress, 2022, 59(5): 0530004

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Paper Information

Category: Spectroscopy

Received: Apr. 14, 2021

Accepted: Jun. 2, 2021

Published Online: Mar. 16, 2022

The Author Email: Wang Jifen (wangjifen58@126.com)

DOI:10.3788/LOP202259.0530004

Topics

laser devices and laser physics

Lasers and Laser Optics

Laser physics

laser manufacturing

Instrumentation, Measurement and Metrology

Table 1. Classification accuracies of three kinds of sedative-hypnotic drugs under different regions of original spectra

Table 1. Classification accuracies of three kinds of sedative-hypnotic drugs under different regions of original spectra

Table 2. Classification accuracy of three kinds of sedative-hypnotic drugs under different types of fusion

Table 2. Classification accuracy of three kinds of sedative-hypnotic drugs under different types of fusion

Table 3. Classification results of four unknown samples

Table 3. Classification results of four unknown samples