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...
| Published in: | Communications Chemistry |
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| Main Authors: | , , , |
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-06-01
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| Online Access: | https://doi.org/10.1038/s42004-023-00932-3 |