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. 2019 Jan 10;11:4. doi: 10.1186/s13321-018-0325-4

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© The Author(s) 2019

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided 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 Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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Fig. 6 — CCR comparison between results of QSAR and MCP models at 80% (a, b), and 90% (c, d). In a, c The ‘both’ class prediction is included for model evaluation while it is left-out in (b, d). The targets are divided in four quadrans depending on whether they have good results for both MCP and QSAR (upper-right), either MCP (upper-left) or QSAR (bottom-right), or none of them (bottom-left)