Computer-assisted Structure Verification and Elucidation Tools In NMR-Based Structure Elucidation

The involvement of several scientists in the development of Computer-Aided Structure Elucidation (CASE) methods has resulted into the development of a series of expert systems based on 2D NMR data utilization. R. Dunkel has also developed a series of software algorithms and applications that claim to elucidate chemical structures on the spectrometer. Dunkel, in collaboration with the NMR hardware vendor Varian has developed a series of applications for the spectrometer computer platform.