QSAR modeling on the basis of 3D descriptors representing the electrostatic molecular surface (ambergris fragrances)

Abstract

This chapter presents the structure–activity relationships approaches that could be applied to the understanding of flavor perception, and ultimately to lead to their prediction. The chapter involves two main parts: the methods and the requirements for the proper implementation of the quantitative structure–activity approach are presented in the first part; the second part is devoted to the studies already realized on aroma compounds, and that have been applied to the main issues governing the aroma perception: the release in vapor phase, the intensity of perception, and the link between molecular structure and odor quality.