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Chinese Academy of Sciences Institutional Repositories Grid
Application of a hybrid variable selection method for the classification of rapeseed oils based on H-1 NMR spectral analysis

文献类型:期刊论文

作者Chen, Xiaojing ; Li, Han ; Wu, Di ; Lei, Xinxiang ; Zhu, Xiangou ; Zhang, Anjiang
刊名EUROPEAN FOOD RESEARCH AND TECHNOLOGY
出版日期2010
卷号230期号:6页码:981-988
关键词H-1 nuclear magnetic resonance (NMR) Uninformative variable elimination (UVE) Successive projections algorithm (SPA) Simulated algorithm (SA) Variable selection
ISSN号1438-2377
产权排序4
通讯作者Chen, XJ, Wenzhou Univ, Coll Phys & Elect Informat Engn, Wenzhou 325027, Peoples R China
中文摘要H-1 nuclear magnetic resonance (NMR) spectroscopy was utilized to distinguish the brands of rapeseed oils. As there are more than four hundreds of NMR variables which can cause the discrimination model redundancy, it is necessary to do effective variable selection. Successive projections algorithm (SPA) executed on the full spectrum only improved a few correct answer rate (CAR) and Cohen's kappa coefficient (K) compared to full spectrum-least-square support vector machine (LS-SVM) model. The better results of uninformative variable elimination (UVE)-based SPA calculation show that it is necessary to do UVE before SPA. Because the cutoff threshold selection in UVE algorithm using an artificial random noise cannot obtain the optimal results, we applied simulated annealing (SA) algorithm to estimate the optimal cutoff threshold. The discrimination results show that UVE-SA did better works than conventional UVE. Only 13 variables were obtained by UVE-SA-SPA while the conventional UVE-based SPA selected 77 variables. The best 97.5% CAR and K of 0.967 result of UVE-SPA-LS-SVM model show that it is feasible to distinguish different brands of rapeseed oils using H-1 NMR spectra. It shows that a combination of SA, UVE, and SPA is effective method for the classification of rapeseed oils. Final result shows that all acyl chains, linolenyl and linoleyl chains, and triglycerides were most important for the classification.
学科主题Food Science & Technology
收录类别SCI
资助信息NSFC [30900129]; ZJNSFC [Y2080331]; ZJST [2009C34014]; WZST [H20080052]
语种英语
WOS记录号WOS:000275538100021
公开日期2011-07-08
源URL[http://210.75.237.14/handle/351003/18373]  
专题成都生物研究所_天然产物研究
推荐引用方式
GB/T 7714
Chen, Xiaojing,Li, Han,Wu, Di,et al. Application of a hybrid variable selection method for the classification of rapeseed oils based on H-1 NMR spectral analysis[J]. EUROPEAN FOOD RESEARCH AND TECHNOLOGY,2010,230(6):981-988.
APA Chen, Xiaojing,Li, Han,Wu, Di,Lei, Xinxiang,Zhu, Xiangou,&Zhang, Anjiang.(2010).Application of a hybrid variable selection method for the classification of rapeseed oils based on H-1 NMR spectral analysis.EUROPEAN FOOD RESEARCH AND TECHNOLOGY,230(6),981-988.
MLA Chen, Xiaojing,et al."Application of a hybrid variable selection method for the classification of rapeseed oils based on H-1 NMR spectral analysis".EUROPEAN FOOD RESEARCH AND TECHNOLOGY 230.6(2010):981-988.

入库方式: OAI收割

来源:成都生物研究所

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