Intelligent
Analysis of Drugs Based on Raman Spectroscopy
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SchoolofInstrumentScience and Optoelectronic Engineering,BeijingInformation Science andTechnologyUniversity,Beijing100192,China
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Published
2023-03-15
Issue Date
2023-04-28
Abstract
Raman
spectral analysis technology is used in the field of drug analysis. The
traditional Raman spectral analysis method relies on the artificial expertise
and testing conditions, which consumes a lot of time and manpower. To solve
this problem, a method combining Raman spectroscopy and convolutional neural
network (CNN) in deep learning is proposed in this paper, which can be more
efficient and convenient for drug analysis. The Raman spectra of 4 kinds of
drugs were collected in the experiment. The asymmetric least square method
(ALS) was used for baseline correction and S-G smoothing filtering, and the
original Raman spectra were preprocessed by Max-Min standardization. Six data
enhancement methods, including the method of mixing multiple Dirichlet spectra,
were combined to generate new Raman spectra to expand the data. The data
enhancement method improved the fitting ability and expression ability of the
model. Principal component analysis (PCA) method was used to reduce the
dimension of the original Raman spectrum measured, and the spectral data was
used as the input to build a one-dimensional convolutional neural network model
to predict drug categories and realize drug classification, providing an
intelligent method for drug analysis.
LU Qing, MU Tao-tao, CHEN Shao-hua.
Intelligent
Analysis of Drugs Based on Raman Spectroscopy
. Chinese Journal of Light Scattering. 2023, 35(1): 16-23 https://doi.org/10.13883/j.issn1004-5929.202301003