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DP4-AI automated NMR data analysis: straight from spectrometer to structure
A robust system for automatic processing and assignment of raw (13)C and (1)H NMR data DP4-AI has been developed and integrated into our computational organic molecule structure elucidation workflow. Starting from a molecular structure with undefined stereochemistry or other structural uncertainty,...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8152620/ https://www.ncbi.nlm.nih.gov/pubmed/34122893 http://dx.doi.org/10.1039/d0sc00442a |