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. 2021 Feb 4;11:3198. doi: 10.1038/s41598-021-82410-1

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© The Author(s) 2021

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 licence, and indicate if changes were made. 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/4.0/.

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Scoring power of DockTScore linear and nonlinear models compared to the scoring functions evaluated on the core set 2013. Performances collected from the literature: BT-Score⁷⁵, CompSPA⁷⁶, AutoDockHybrid²³, and the remaining were recalculated from raw data in the recent work of T. Gaillard⁷⁷. Nonlinear models are highlighted with a star. Scoring functions with Pearson’s correlation coefficients higher or equal than 0.7 are colored purple and those lower than or equal to 0.4 are colored red.