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. 2016 Jan 22;8:2. doi: 10.1186/s13321-016-0113-y

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© Tetko et al. 2016

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 — The CV RMSE for different subsets of the final model as a function of MP. Each point on the plot is an average of at least N = 100 predictions with the exception of the Bergström set (N = 20)