Saadi, Khaled and Korichi, Mourad and Gerbaud, Vincent and Talou, Thierry and Floquet, Pascal
Classification of the aroma quality of pyrazines derivatives using random forest tree technique.
(2013)
In: Weurman Flavour Research Symposium XIII , 27 September 2011 - 30 September 2011 (Zaragoza, Spain).
![]() |
(Document in English)
PDF (Author's version) - Depositor and staff only - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader 2MB | |
![]() |
(Document in English)
PDF (Author's version) - Depositor and staff only - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader 202kB | |
![]() |
(Document in English)
PDF (Author's version) - Depositor and staff only - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader 35kB |
Abstract
We present an alternative classification of the odour molecules based on 0D, 1D, 2D and 3D molecular descriptors by using the Random Forest Tree (RFT). 98 molecules of pyrazine derivatives are classified among three classes of aroma notes: Green, Nutty and Bell-Pepper. The classification model uses 180, 40, 45 and 50 trees in the forest respectively for the 0D, 1D, 2D and 3D descriptors. The use of descriptors 0D, 1D, 2D and 3D correctly classify 72.1%, 70.6%, 82.4% and 85.3% of the molecules during the learning phase. For the test phase, the classification rate is 80%, 86.7%, 93.3% and 90%. This show that RFT is able to develop the molecular Structure - Odour.
Item Type: | Conference or Workshop Item (Lecture) |
---|---|
Additional Information: | Flavour Science - Proceedings from XIII Weurman Flavour Research Symposium. Edited by Vicente Ferreira and Ricardo Lopez. Academic Press Inc; Elsevier, 2013. 742 p. ISBN: 9780123985491 |
Audience (conference): | International conference proceedings |
Uncontrolled Keywords: | |
Institution: | French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE) Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE) French research institutions > Institut National de la Recherche Agronomique - INRA (FRANCE) Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE) Other partners > Université Kasdi Merbah Ouargla (ALGERIA) |
Laboratory name: | |
Statistics: | download |
Deposited On: | 08 Nov 2013 08:05 |
Repository Staff Only: item control page