Quantitative Structure-Property Study on Pyrazines with Bell Pepper Flavor

Klein, Ch. Th.; Pircher, H.; Wailzer, B.; Buchbauer, G.; Wolschann, P.

doi:10.3797/scipharm.aut-00-04

Scientia Pharmaceutica is published by MDPI from Volume 84 Issue 3 (2016). Previous articles were published by another publisher in Open Access under a CC-BY (or CC-BY-NC-ND) licence, and they are hosted by MDPI on mdpi.com as a courtesy and upon agreement with Austrian Pharmaceutical Society (Österreichische Pharmazeutische Gesellschaft, ÖPhG).

Article

5 March 2000

16 Pages

Quantitative Structure-Property Study on Pyrazines with Bell Pepper Flavor

and

Institut fur Theoretische Chemie und Molekulare Strukturbiologie, Universitat Wien, Wahringer Strafle 17, A-1090 Wien, Austria

Institut fur Pharmazeutische Chemie, Universitat Wien, Althanstrafle 14, A-1090 Wien, Austria

Author to whom correspondence should be addressed.

Sci. Pharm.2000, 68(1), 41-56;https://doi.org/10.3797/scipharm.aut-00-04

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Abstract

A quantitative structure-property (QSPR) study on pyrazines with bell pepper aroma is performed by means of different statistical methods, which correlate appropriate molecular descriptors with the biological activity. The different methods lead to consistent results, indicating which of the molecular properties of the compounds under consideration are significant for bell pepper flavor. These results are compared with other models.

Keywords:

Bell pepper flavor; correlation analysis; multiple linear regression; comparative molecular field analysis; cluster analysis

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