An automated framework for NMR chemical shift calculations of small organic molecules

When using nuclear magnetic resonance (NMR) to assist in chemical identification in complex samples, researchers commonly rely on databases for chemical shift spectra. However, authentic standards are typically depended upon to build libraries experimentally. Considering complex biological samples,...

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Bibliografiske detaljer
Udgivet i:J Cheminform
Main Authors: Yesiltepe, Yasemin, Nuñez, Jamie R., Colby, Sean M., Thomas, Dennis G., Borkum, Mark I., Reardon, Patrick N., Washton, Nancy M., Metz, Thomas O., Teeguarden, Justin G., Govind, Niranjan, Renslow, Ryan S.
Format: Artigo
Sprog:Inglês
Udgivet: Springer International Publishing 2018
Fag:
Research Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6755567/
https://ncbi.nlm.nih.gov/pubmed/30367288
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-018-0305-8
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