Simulation of the 13C Nuclear Magnetic Resonance Spectra of Ribonucleosides Using Multiple Linear Regression Analysis and Neural Networks
β Scribed by Clouser, D.L.; Jurs, P.C.
- Book ID
- 126029389
- Publisher
- American Chemical Society
- Year
- 1996
- Tongue
- English
- Weight
- 281 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0095-2338
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The 13C NMR spectra of tetrahydropyrans are simulated directly from their molecular structures. A set of 29 tetrahydropyrans is used as a training set to generate regression equations and to train neural networks, and three additional compounds are used as a cross-validation set. The results of simu
## Abstract The ^1^H and ^13^C NMR spectra of 1,2βdibromoethaneβ^13^C~2~ have been analyzed to determine the magnitude (38Β·9 Hz) and sign (positive) of ^1^__J__(Cο£ΏC) relative to those of ^3^__J__(Hο£ΏH) (positive). This type of coupling appears to be rather insensitive to the presence of bromine or m