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. 2026 Feb 7;100(5):1903–1926. doi: 10.1007/s00204-026-04303-4

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© The Author(s) 2026

Open Access This article is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License, which permits any non-commercial use, sharing, 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 licence, and indicate if you modified the licensed material. You do not have permission under this licence to share adapted material derived from this article or parts of it. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by-nc-nd/4.0/.

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Fig. 4 — Multivariate statistical analysis of fetal rat brain metabolome following exposure to PTU or PCN. Brains from GD21 rats exposed to PTU (a) or PCN (b) were analyzed by metabolomics. The left panels show Principal Component Analysis (PCA) score plots (PC1 vs. PC2), highlighting separation between exposed and control groups. The right panels show Partial Least Squares–Discriminant Analysis (PLS-DA) score plots together with the corresponding performance table summarizing cross-validated classification accuracy, explained variance (R²), and predictive ability (Q²)