Journal article
Data reduction in the simulation of carbon-13 nuclear magnetic resonance spectra of steroids
Analytical chemistry (Washington), Vol.56(13), pp.2307-2314
11/01/1984
DOI: 10.1021/ac00277a011
Abstract
Automated procedures are described for selecting observations to delete in the formation of linear models for carbon-13 NMR chemical shifts. The methodology Is tested by calculating models for hydroxy steroids based on four progressively smaller sets of atoms. The calculated models are used to simulate the spectra of a separate set of test compounds. The simulation results Indicate that greater than 50% of the observations can be deleted without a significant loss in performance of the models. Practical guidelines are established for the use of the data reduction methodology In future studies.
Details
- Title: Subtitle
- Data reduction in the simulation of carbon-13 nuclear magnetic resonance spectra of steroids
- Creators
- Gary W SmallPeter S Jurs
- Resource Type
- Journal article
- Publication Details
- Analytical chemistry (Washington), Vol.56(13), pp.2307-2314
- Publisher
- American Chemical Society
- DOI
- 10.1021/ac00277a011
- ISSN
- 0003-2700
- eISSN
- 1520-6882
- Language
- English
- Date published
- 11/01/1984
- Academic Unit
- Chemistry
- Record Identifier
- 9984216728802771
Metrics
7 Record Views