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Comparison of chemical properties of the training (light blue) and SAMPL6 (orange) data sets. a: normalized histograms of the number of rotatable bonds; b: normalized histograms of the number of hydrogen bond acceptors; c: correlation between the number of heavy atoms and the number of acceptors with linear regressions shown as solid lines and their 95% confidence interval from 1000 bootstraps indicated by shaded areas.
