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NMR-TS: de novo molecule identification from NMR spectra

Nuclear magnetic resonance (NMR) spectroscopy is an effective tool for identifying molecules in a sample. Although many previously observed NMR spectra are accumulated in public databases, they cover only a tiny fraction of the chemical space, and molecule identification is typically accomplished ma...

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Detalhes bibliográficos
Publicado no:Sci Technol Adv Mater
Main Authors: Zhang, Jinzhe, Terayama, Kei, Sumita, Masato, Yoshizoe, Kazuki, Ito, Kengo, Kikuchi, Jun, Tsuda, Koji
Formato: Artigo
Idioma:Inglês
Publicado em: Taylor & Francis 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7476483/
https://ncbi.nlm.nih.gov/pubmed/32939179
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/14686996.2020.1793382
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