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Artificial neural network simulation of 13C NMR shifts for methyl substituted cyclohexanes

✍ Scribed by A. Panaye; J.P. Doucet; B.T. Fan; E. Feuilleaubois; S.Rahali El Azzouzi

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
714 KB
Volume
24
Category
Article
ISSN
0169-7439

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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