Computerized delimitation of odorant areas in gas-chromatography-olfactometry by kernel density estimation: Data processing on French white wines

Abstract : GC-O using the detection frequency method gives a list of odor events (OEs) where each OE is described by a linear retention index (LRI) and by the aromatic descriptor given by a human assessor. The aim of the experimenter is to gather OEs in a total olfactogram on which he tries to delimit odorant areas (OAs), then to compute each detection frequency. This paper proposes a computerized mathematical method based on kernel density estimation that makes up the total olfactogram as continuous and differentiable function from the OEs LRI only. The corresponding curve looks like a chromatogram, the peaks of which are potential OAs. The limits of an OA are the LRI of the two minima surrounding the peak. The method was applied on a big data set: 18 white wines, 17 assessors, 13,037 OEs. A previous manual delimitation made by the experimenter was used as benchmark to test the quality of the rendition by the computed delimitation. A contingency table containing the numbers of OEs that belonged to both benchmark OAs and computed OAs was built. This table enabled to assess the quality of the global rendition (Tschuprow's T coefficients) and the quality of individual rendition of each benchmark OA. In order to define a suitable range of application, the kernel-based method was tested on sub-sets from the global dataset, by randomly drawing n wines out of 18 and p assessors out of 17. The method gave very satisfying results for at least n = 9 wines, p = 7 assessors for the peaks gathering at least (n + p)/2 OEs. Computerized delimitation of odorant areas in gas-chromatography-olfactometry by kernel density estimation: Data processing on French white wines (PDF Download Available). Available from: https://www.researchgate.net/publication/317128088_Computerized_delimitation_of_odorant_areas_in_gas-chromatography-olfactometry_by_kernel_density_estimation_Data_processing_on_French_white_wines [accessed Jul 19, 2017].
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Article dans une revue
Chemometrics and Intelligent Laboratory Systems, Elsevier, 2017, 167, pp.29-35. 〈https://www.elsevier.com/〉. 〈10.1016/j.chemolab.2017.05.015〉
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https://hal-univ-bourgogne.archives-ouvertes.fr/hal-01565171
Contributeur : Csga - Université de Bourgogne <>
Soumis le : mercredi 19 juillet 2017 - 15:21:10
Dernière modification le : mardi 6 février 2018 - 15:56:21

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Jean Blanquet, Yves Le Fur, Jordi Ballester. Computerized delimitation of odorant areas in gas-chromatography-olfactometry by kernel density estimation: Data processing on French white wines. Chemometrics and Intelligent Laboratory Systems, Elsevier, 2017, 167, pp.29-35. 〈https://www.elsevier.com/〉. 〈10.1016/j.chemolab.2017.05.015〉. 〈hal-01565171〉

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