Interpretation of (13)C chemical shifts is essential for structure elucidation of organic molecules by NMR. In this article, we present an improved neural network approach and compare its performance to that of commonly used approaches. Specifically, our recently proposed neural network (J. Chem. In
β¦ LIBER β¦
ChemInform Abstract: Fast Determination of 13C NMR Chemical Shifts Using Artificial Neural Networks.
β Scribed by J. Meiler; R. Meusinger; M. Will
- Publisher
- John Wiley and Sons
- Year
- 2001
- Weight
- 27 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0931-7597
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## Abstract The combined use of 2D NMR correlation experiments and GIAO DFT ^13^C NMR chemical shift calculations has allowed a reliable and simple structural determination of regioisomeric heterocyclic systems that originate from the reactions of quinolinone or coumarin derivatives with hydroxylam