title: An expert system for automated structure elucidation utilizing 1H-1H, 13C-1H and 15N-1H 2D NMR correlations.
abstract: A software program for the automated structure elucidation of complex organic molecules using an expert system and utilizing 2D homo- and heteronuclear correlation 1H, 13C and 15N NMR spectroscopy is described. The methodology is illustrated on the basis of the automated structure determination of strychnine and some other examples.
authors.affiliation: Advanced Chemistry Development Inc., Toronto, ON, Canada.
authors.forename: K A
authors.initials: KA
authors.lastname: Blinov
authors.forename: M E
authors.initials: ME
authors.lastname: Elyashberg
authors.forename: S G
authors.initials: SG
authors.lastname: Molodtsov
authors.forename: A J
authors.initials: AJ
authors.lastname: Williams
authors.forename: E R
authors.initials: ER
authors.lastname: Martirosian