2002
DOI: 10.1021/jf011664a
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Aroma Quality Differentiation of Pyrazine Derivatives Using Self-Organizing Molecular Field Analysis and Artificial Neural Network

Abstract: The encoding of various aroma impressions and the distinction between different aroma qualities are unsolved problems, as differences between aroma impressions can be described only in a qualitative but not in a quantitative manner. As a consequence, classifications of various aroma qualities cannot easily be performed by standard QSAR methods. To find a proper way to encode aroma impressions for SAR studies, a total of 50 pyrazine-based aroma compounds showing the aroma quality of earthy, green-earthy, or gre… Show more

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Cited by 12 publications
(4 citation statements)
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References 27 publications
(26 reference statements)
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“…Nevertheless, several structure‐odor relationships have been successfully established, e.g., for rigid odorants, either to discriminate hedonic qualities or to characterize the odor similarity of odorant mixtures . A crucial point is that the use of sophisticated molecular descriptors is necessary to develop a metric for odorants …”
Section: Introductionmentioning
confidence: 99%
“…Nevertheless, several structure‐odor relationships have been successfully established, e.g., for rigid odorants, either to discriminate hedonic qualities or to characterize the odor similarity of odorant mixtures . A crucial point is that the use of sophisticated molecular descriptors is necessary to develop a metric for odorants …”
Section: Introductionmentioning
confidence: 99%
“…These molecules consisted of a heterocyclic aromatic organic compound with one or several nitrogen atoms in different positions on the aromatic ring. These compounds were strongly correlated with the occurrence of the Maillard reaction and were responsible for aroma development in processed food . To allow the Maillard reaction, three elements were needed: amine, reductor sugar, and heat.…”
Section: Resultsmentioning
confidence: 99%
“…These compounds were strongly correlated with the occurrence of the Maillard reaction and were responsible for aroma development in processed food. 48 To allow the Maillard reaction, three elements were needed: amine, reductor sugar, and heat. A Fehling liquor test was performed to confirm the presence of the reductor sugars; amines were present because of the chitosan structure itself, and the films reached 100-110 C during the microwave heating time.…”
Section: Electronic Nose/headspace Chromatography Associated With Vol...mentioning
confidence: 99%
“…The most common tasks approached by the use of neural networks are modeling and classification problems. Numerous application areas to chemistry [47][48][49][50][51][52][53][54][55][56][57][58][59][60] include QSAR/QSPR studies, spectroscopy (IR, NMR, and UV spectra), protein folding, process control in chemical industry, etc.…”
Section: Artificial Neural Network Modelsmentioning
confidence: 99%