title: Quantitative structure-activity relationships (QSAR) of trimedlure isomers.
abstract: Trimedlure (tert-butyl 4- and 5-chloro-cis- andtrans-2-methylcyclohexane-1-carboxylate), a mixture of eight isomers, is used as an attractant for detecting and monitoring the male Mediterranean fruit fly. This paper reports the quantitative structure-activity relationship (QSAR), via CHEMX, of the eight purified isomers (racemic mixtures) of trimedlure. The relationship between structure and attractiveness is demonstrated by utilizing male medfly field catch on day 0 of the individual isomers vs. several molecular descriptors: volume, surface area, a torsion angle, and an interatomic distance.
authors.affiliation: Insect Chemical Ecology Laboratory, USDA, ARS, BARC-West.
authors.forename: J D
authors.initials: JD
authors.lastname: Warthen
authors.forename: W F
authors.initials: WF
authors.lastname: Schmidt
authors.forename: R T
authors.initials: RT
authors.lastname: Cunningham
authors.forename: A B
authors.initials: AB
authors.lastname: Demilo
authors.forename: G L
authors.initials: GL
authors.lastname: Fritz