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. 2022 May 24;50(W1):W165–W174. doi: 10.1093/nar/gkac383

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© The Author(s) 2022. Published by Oxford University Press on behalf of Nucleic Acids Research.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.

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Graphical Abstract — Illustration of the two main functions supported by CFM-ID 4.0. Predicting MS/MS spectra from chemical structures (top) and predicting chemical structures from MS/MS spectra (bottom).