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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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Bibliografiske detaljer
Udgivet i:Chem Sci
Main Authors: Fine, Jonathan A., Rajasekar, Anand A., Jethava, Krupal P., Chopra, Gaurav
Format: Artigo
Sprog:Inglês
Udgivet: The Royal Society of Chemistry 2020
Fag:
Online adgang: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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