The METLIN small molecule dataset for machine learning-based retention time prediction
The use of machine learning for identifying small molecules through their retention time’s predictions has been challenging so far. Here the authors combine a large database of liquid chromatography retention time with a deep learning approach to enable accurate metabolites’s identification.
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| Autori principali: | , , , , , , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Nature Portfolio
2019-12-01
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| Serie: | Nature Communications |
| Accesso online: | https://doi.org/10.1038/s41467-019-13680-7 |
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