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. 2020 Jun 10;10:9377. doi: 10.1038/s41598-020-65927-9

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© The Author(s) 2020

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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Results for specific compounds exhibiting good ability to model with one or all of the methods. Displayed numbers represent number of features which was used by the best performing model for a particular drug. Top horizontal axis shows compounds’ target pathways along with the model which achieved the best modeling result. See Fig. 1 for model abbreviations.