Research on Spectral Region Selection of Near Infrared Spectra Based on Genetic Algorithm

2017 ◽  
Author(s):  
Yong Zhang
Keyword(s):  
Genetic Algorithm ◽  
Infrared Spectra ◽  
Spectral Region ◽  
Near Infrared ◽  
Region Selection ◽  
Near Infrared Spectra ◽  
Selection Of

Multivariate calibration of near infrared spectra by orthogonal WAVElet correction using a genetic algorithm

2006 ◽  
Vol 555 (1) ◽  
pp. 84-95 ◽  
Author(s):  
I. Esteban-Díez ◽  
J.M. González-Sáiz ◽  
D. Gómez-Cámara ◽  
C. Pizarro Millan
Keyword(s):  
Genetic Algorithm ◽  
Infrared Spectra ◽  
Near Infrared ◽  
Multivariate Calibration ◽  
Orthogonal Wavelet ◽  
Near Infrared Spectra

scholarly journals New Indicator for Optimal Preprocessing and Wavelength Selection of Near-Infrared Spectra

2004 ◽  
Vol 58 (3) ◽  
pp. 264-271 ◽  
Author(s):  
E. T. S. Skibsted ◽  
H. F. M. Boelens ◽  
J. A. Westerhuis ◽  
D. T. Witte ◽  
A. K. Smilde
Keyword(s):  
Infrared Spectra ◽  
Near Infrared ◽  
Wavelength Selection ◽  
Near Infrared Spectra ◽  
Selection Of

Rapid Determining Contents of the Rhubarb Anthraquinones Compounds by Support Vector Machines Modeling based on Near Infrared Spectra

2020 ◽  
Vol 16 ◽  
Author(s):  
Linqi Liu ◽  
JInhua Luo ◽  
Chenxi Zhao ◽  
Bingxue Zhang ◽  
Wei Fan ◽  
...  
Keyword(s):  
Infrared Spectra ◽  
Near Infrared ◽  
Mean Squared Error ◽  
Rapid Determination ◽  
Partial Least Square ◽  
Least Square ◽  
Support Vector ◽  
Near Infrared Spectra ◽  
Aloe Emodin ◽  
Relative Differences

BACKGROUND: Measuring medicinal compounds to evaluate their quality and efficacy has been recognized as a useful approach in treatment. Rhubarb anthraquinones compounds (mainly including aloe-emodin, rhein, emodin, chrysophanol and physcion) are its main effective components as purgating drug. In the current Chinese Pharmacopoeia, the total anthraquinones content is designated as its quantitative quality and control index while the content of each compound has not been specified. METHODS: On the basis of forty rhubarb samples, the correlation models between the near infrared spectra and UPLC analysis data were constructed using support vector machine (SVM) and partial least square (PLS) methods according to Kennard and Stone algorithm for dividing the calibration/prediction datasets. Good models mean they have high correlation coefficients (R2) and low root mean squared error of prediction (RMSEP) values. RESULTS: The models constructed by SVM have much better performance than those by PLS methods. The SVM models have high R2 of 0.8951, 0.9738, 0.9849, 0.9779, 0.9411 and 0.9862 that correspond to aloe-emodin, rhein, emodin, chrysophanol, physcion and total anthraquinones contents, respectively. The corresponding RMSEPs are 0.3592, 0.4182, 0.4508, 0.7121, 0.8365 and 1.7910, respectively. 75% of the predicted results have relative differences being lower than 10%. As for rhein and total anthraquinones, all of the predicted results have relative differences being lower than 10%. CONCLUSION: The nonlinear models constructed by SVM showed good performances with predicted values close to the experimental values. This can perform the rapid determination of the main medicinal ingredients in rhubarb medicinal materials.

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