Artificial neural network simulation of 13C NMR shifts for methyl substituted cyclohexanes
- 31 August 1994
- journal article
- Published by Elsevier in Chemometrics and Intelligent Laboratory Systems
- Vol. 24 (2) , 129-135
- https://doi.org/10.1016/0169-7439(94)00022-0
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Neural networks: A new method for solving chemical problems or just a passing phase?Published by Elsevier ,2002
- Neural networks and carbon-13 NMR shift predictionJournal of Chemical Information and Computer Sciences, 1993
- Prediction of carbon-13 nuclear magnetic resonance chemical shifts by artificial neural networksAnalytical Chemistry, 1992
- Trends in shift rules in carbon-13 nuclear magnetic resonance spectroscopy and computer-aided shift predictionAnalytica Chimica Acta, 1991
- An application of neural networks in chemistry. Prediction of13C NMR chemical shiftsJournal of Mathematical Chemistry, 1991
- Parameter set for the prediction of the 13C-NMR chemical shifts of sp2- and sp-hybridized carbon atoms in organic compoundsAnalytica Chimica Acta, 1991
- Evaluation of automated methods for the selection of models for simulation of carbon-13 nuclear magnetic resonance spectra of keto steroidsAnalytical Chemistry, 1991
- Nature of substituent effects in nuclear magnetic resonance spectroscopy. 1. Factor analysis of carbon-13 chemical shifts in aliphatic halidesThe Journal of Organic Chemistry, 1980
- Konformationsuntersuchungen mit Hilfe der 13C‐NMR‐Spektroskopie. III. 13C‐NMR‐spektroskopische Verschiebungen durch sterisch gehinderte MethylgruppenMagnetic Resonance in Chemistry, 1978
- Carbon-13 magnetic resonance. IX. MethylcyclohexanesJournal of the American Chemical Society, 1967