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. 2014 Mar 10;9(3):e90689. doi: 10.1371/journal.pone.0090689

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© 2014 Ding et al

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

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Observed pIC₅₀ vs. the pIC₅₀ predicted by Hypo A, Hypo B, Hypo C, and PhE/SVM for those molecules in the test set. The solid line, dashed lines, and dotted lines correspond to the PhE/SVM regression of the data, 95% confidence interval for the PhE/SVM regression, and 95% confidence interval for the prediction, respectively.