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Spectral deep learning for prediction and prospective validation of functional groups
State-of-the-art identification of the functional groups present in an unknown chemical entity requires the expertise of a skilled spectroscopist to analyse and interpret Fourier transform infra-red (FTIR), mass spectroscopy (MS) and/or nuclear magnetic resonance (NMR) data. This process can be time...
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| Publicado no: | Chem Sci |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society of Chemistry
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8152587/ https://ncbi.nlm.nih.gov/pubmed/34122917 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c9sc06240h |
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