Accurate Prediction of 1 H NMR Chemical Shifts of Small Molecules Using Machine Learning
Accurate Prediction of 1 H NMR Chemical Shifts of Small Molecules Using Machine Learning
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Publisher
Switzerland
Journal title
Language
English
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Publisher
Switzerland
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Contents
NMR is widely considered the gold standard for organic compound structure determination. As such, NMR is routinely used in organic compound identification, drug metabolite characterization, natural product discovery, and the deconvolution of metabolite mixtures in biofluids (metabolomics and exposomics). In many cases, compound identification by NM...
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Full title
Accurate Prediction of 1 H NMR Chemical Shifts of Small Molecules Using Machine Learning
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TN_cdi_pubmed_primary_38786767
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_pubmed_primary_38786767
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ISSN
2218-1989
E-ISSN
2218-1989
DOI
10.3390/metabo14050290
