期刊
TALANTA
卷 222, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.talanta.2020.121564
关键词
ROC curves; Food authentication; Extra-virgin olive oil; FT-Raman; SIMCA one-Class; Variable selection
资金
- research program Program of research activity at the Rovira i Virgili University, Tarragona, Spain [2016PFR-URV-B2]
A methodology based on ROC curves is proposed to optimize classification model parameters, successfully applied to authenticate the geographical origin of extra-virgin olive oils. By setting the threshold class value, the sensitivity and specificity of the model were improved.
This paper proposes a ROC curve-based methodology to find optimal classification model parameters. ROC curves are implemented to set the optimal number of PCs to build a one-class SIMCA model and to set the threshold class value that optimizes both the sensitivity and specificity of the model. The authentication of the geographical origin of extra-virgin olive oils of Arbequina botanical variety is presented. The model was developed for samples from Les Garrigues, target class, Samples from Siurana were used as the non-target class. Samples were measured by FT-Raman with no pretreatment. PCA was used as exploratory technique. Spectra underwent pre-treatment and variables were selected based on their VIP score values. ROC curve and others already known criteria were applied to set the threshold class value. The results were better when the ROC curve was used, obtaining performance values higher than 82%, 75% and 77% for sensitivity, specificity and efficiency, respectively.
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