Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks
Author:
Affiliation:
1. Institute of Organic Chemistry, Marie-Curie-Strasse 11, Universität Frankfurt, D - 60439 Frankfurt, Germany, and BASF AG Ludwigshafen, Germany
Publisher
American Chemical Society (ACS)
Subject
Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci0102970
Reference31 articles.
1. MOLGEN+, a generator of connectivity isomers and stereoisomers for molecular structure elucidation
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4. Fast Determination of 13C NMR Chemical Shifts Using Artificial Neural Networks
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