Comprehensive Strategy for Proton Chemical Shift Prediction: Linear Prediction with Nonlinear Corrections
Author:
Affiliation:
1. University of Eastern Finland, School of Pharmacy, POB 1627, FI-70211 Kuopio, Finland
2. PERCH Solutions Ltd., Puijonkatu 24B, FI-71100 Kuopio, Finland
3. Department of Chemistry, University of Jyväskylä, POB 35, FI-40014 Jyväskylä, Finland
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci400648s
Reference45 articles.
1. Development of a fast and accurate method of 13C NMR chemical shift prediction
2. New parameters for predicting 1H NMR chemical shifts of protons attached to carbon atoms
3. A model for the calculation of proton chemical shifts in non-conjugated organic compounds
4. Towards the automatic analysis of1H NMR spectra
5. Prediction of 1H NMR Chemical Shifts Using Neural Networks
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