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Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization–Mass Spectrometry
[Image: see text] Mass spectrometry is a vital tool in the analytical chemist’s toolkit, commonly used to identify the presence of known compounds and elucidate unknown chemical structures. All of these applications rely on having previously measured spectra for known substances. Computational metho...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9909676/ https://www.ncbi.nlm.nih.gov/pubmed/36695638 http://dx.doi.org/10.1021/acs.analchem.2c02093 |