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. 2023 Mar 29;14:1752. doi: 10.1038/s41467-023-37446-4

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© The Author(s) 2023

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 5 — Workflow for training the MS2Deepscore model, the Spec2Vec model and the random forest model used by MS2Query. Rounded boxes indicate mass spectral handling steps, whereas squared boxes are indicating machine learning model training steps. The blue colour highlights preparation steps of the mass spectral data prior to model training, the yellow colour the Spec2Vec model, the red colour the MS2DeepScore model, and the green colour the MS2Query model.