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An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts

Crossref DOI link: https://doi.org/10.1186/s13321-022-00587-7

Published Online: 2022-09-22

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Yesiltepe, Yasemin

Govind, Niranjan

Metz, Thomas O.

Renslow, Ryan S. http://orcid.org/0000-0002-3969-5570
Funding

Funding for this research was provided by:

Microbiomes in Transition (MinT) Initiative as part of the Laboratory Directed Research and Development Program

National Institutes of Health, National Institute of Environmental Health Sciences (U2CES030170)
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Text and Data Mining valid from 2022-09-22

Version of Record valid from 2022-09-22
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Article History

Received: 3 December 2020

Accepted: 6 February 2022

First Online: 22 September 2022

Declarations

:

: The authors declare no competing interests.

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