Published in
Royal Society of Chemistry, Organic and Biomolecular Chemistry, 39(13), p. 9957-9962, 2015
DOI: 10.1039/c5ob01713k
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Dereplication of natural products using minimal NMR data inputs
Journal article published in 2015 by
Russell B. Williams,
Mark O'Neil-Johnson,
Antony J. Williams 
,
Patrick Wheeler,
Rostislav Pol,
Arvin Moser
,
Patrick Wheeler,
Rostislav Pol,
Arvin Moser
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Abstract
A strategy for the dereplication of a complete and a partial structure using 1H NMR, 1H–13C HSQC and 1H–1H COSY spectral data, a molecular formula composition range and structural fragments against a massive database of about 22 million compounds is considered.