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Rapid Prediction of Electron–Ionization Mass Spectrometry Using Neural Networks
[Image: see text] When confronted with a substance of unknown identity, researchers often perform mass spectrometry on the sample and compare the observed spectrum to a library of previously collected spectra to identify the molecule. While popular, this approach will fail to identify molecules that...
Autores principales: | Wei, Jennifer N., Belanger, David, Adams, Ryan P., Sculley, D. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2019
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6487538/ https://www.ncbi.nlm.nih.gov/pubmed/31041390 http://dx.doi.org/10.1021/acscentsci.9b00085 |
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