title: A quantitative structure-activity relationship (QSAR) study of alkylpyrazine odor modalities.
abstract: The odor strength of a series of alkylpyrazines has been quantitatively investigated applying molecular connectivity, molecular shape, and the recently developed electrotopological state indices. The successful use of the latter parameters indicates that both electronic and topological features contribute to the odor strength of the compounds under study, while the specific role of the two nitrogen atoms is revealed.
authors.affiliation: Department of Pharmacy, University of Athens, Greece.
authors.forename: A
authors.initials: A
authors.lastname: Tsantili-Kakoulidou
authors.forename: L B
authors.initials: LB
authors.lastname: Kier
mesh_terms: D055598:Chemical Phenomena; D002627:Chemistry, Physical; D008968:Molecular Conformation; D009812:Odorants / Q000032:analysis*; D011719:Pyrazines / Q000737:chemistry / Q000494:pharmacology*; D013329:Structure-Activity Relationship
chemical_list: D011719:Pyrazines