Structure-odour relations for bitter almond odorants

Autor:	Driss Zakarya, Mohamed Yahiaoui, Souäd Fkih‐Tetouani
Rok vydání:	1993
Předmět:	Training set Odor Chemistry Test set Organic Chemistry Principal component analysis Organoleptic Organic chemistry Physical and Theoretical Chemistry Linear discriminant analysis
Zdroj:	Journal of Physical Organic Chemistry. 6:627-633
ISSN:	1099-1395 0894-3230
DOI:	10.1002/poc.610061106
Popis:	Structure–bitter almond odour relations are established for a set of 65 organic compounds (40 having the bitter almond character) belonging to benzene, pyrrole, thiophene, acyclic and cyclic compounds. Compounds are described using components of autocorrelation method, and the odour is described with a binary variable. Data were analysed using principal component analysis followed by a linear discriminant analysis. The obtained model gives satisfactory classification and prediction of the training set and the test set, respectively. In addition, obtained structure–odour relations were translated to structural elements (and rules) necessary for a stimulus to have bitter almond character.
Databáze:	OpenAIRE
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