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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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| Publicado no: | J Cheminform |
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| Main Authors: | , , , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2018
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| Assuntos: | |
| Acesso em linha: | 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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