An end-to-end deep learning framework for translating mass spectra to de-novo molecules
Abstract Elucidating the structure of a chemical compound is a fundamental task in chemistry with applications in multiple domains including drug discovery, precision medicine, and biomarker discovery. The common practice for elucidating the structure of a compound is to obtain a mass spectrum and s...
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| Principais autores: | , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Nature Portfolio
2023-06-01
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| Serier: | Communications Chemistry |
| Online adgang: | https://doi.org/10.1038/s42004-023-00932-3 |
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