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. 2021 Jun 28;11:13369. doi: 10.1038/s41598-021-92825-5

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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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Distribution of active values and Glide scores of Cluster 1 and 2 active datasets. Histograms for (A) active values, (B) SP GlideScore distributions. The dotted lines represent mean values and the histogram bar of the Cluster 1 active set, and the Cluster 2 active set are colored magenta and blue, respectively, whereas the dark blue represents their overlap region. Boxplots for (C) activity values, (D) SP GlideScore distributions of active dataset for each the Cluster 1 and 2. The magenta and blue colors correspond to the active sets of Clusters 1 and 2, respectively.