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Research of machine learning in the application of authenticity discrimination of Fritillariae Thunbergii Bulbus and Fritillariae Hupehensis Bulbus in different form with dry-process REIMS fingerpring
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Yan SHI1, Ning LI2, Feng WEI1, *
Chinese Journal of Pharmaceutical Analysis | 2024, 44(1) : 134 - 143
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Chinese Journal of Pharmaceutical Analysis | 2024, 44(1): 134-143
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Research of machine learning in the application of authenticity discrimination of Fritillariae Thunbergii Bulbus and Fritillariae Hupehensis Bulbus in different form with dry-process REIMS fingerpring
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Yan SHI1, Ning LI2, Feng WEI1, *
Affiliations
  • 1.National Institutes for Food and Drug Control, Beijing 102629, China
  • 2.Beijing Institute for Drug Control, Beijing 102206, China
Published: 2024-01-31 doi: 10.16155/j.0254-1793.2024.01.14
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Objective:

To study and analyze rapid evaporative ionization mass spectrometry (REIMS) fingerprints of samples of Fritillariae Thunbergii Bulbus and Fritillariae Hupehensis Bulbus in different forms for authenticity discrimination with machine learning.

Methods:

Aerosol formations from the samples by high temperature of dry burning method were ionized and determined by REIMS with m/z 50-1 200 as scanning range in sensitive mode and positive ion mode. The scanning time was 0.2 s and data was recorded as continuous mode. Then the basic situation of REIMS data distribution was studied and analyzed through the methods of cluster analysis, correlation analysis, similarity analysis and principal component analysis. And then logistic regression model with ridge regression (l2) as penalty parameter and quasi-Newton method (lbfgs) as optimization algorithm was established.

Results:

The REIMS fingerprints of the samples showed the characteristics of variety differences. Both cross validation and test set validation had an accuracy of 1.0, and the logistic regression model could accurately predict and distinguish the varieties of the samples.

Conclusion:

The application prospect of REIMS technique combined with machine learning in the field of traditional Chinese medicine is very broad.

Fritillariae Thunbergii Bulbus  /  Fritillariae Hupehensis Bulbus  /  REIMS  /  machine learning  /  artificial intelligence  /  logistic regression  /  analysis of traditional Chinese medicine  /  authenticity discrimination
Yan SHI, Ning LI, Feng WEI. Research of machine learning in the application of authenticity discrimination of Fritillariae Thunbergii Bulbus and Fritillariae Hupehensis Bulbus in different form with dry-process REIMS fingerpring[J]. Chinese Journal of Pharmaceutical Analysis, 2024 , 44 (1) : 134 -143 . DOI: 10.16155/j.0254-1793.2024.01.14
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doi: 10.16155/j.0254-1793.2024.01.14
  • Online Date：2026-03-16
  • Published：2024-01-31
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History
  • Revised：2023-11-17
Affiliations
    1.National Institutes for Food and Drug Control, Beijing 102629, China
    2.Beijing Institute for Drug Control, Beijing 102206, China
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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