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. 2023 Oct 3;14:6155. doi: 10.1038/s41467-023-41698-5

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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. 4 — The box plots depict re-ranking results in terms of top-1, -3, -5, -10 accuracy, and percentile average rank in comparison to three standard retrosynthesis models: Retroxpert, GLN, and Neuralsym. Each result was derived from three repeated experiments conducted with distinct random seeds. The minimum, maximum, and median of the three data points are represented by the lower whisker, upper whisker, and central line within each box, respectively. Source data are provided as a Source Data file.