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. 2021 Jun 24;61(7):3453–3462. doi: 10.1021/acs.jcim.0c01478

Figure 6.

Figure 6

Computed partition coefficient, from ABC and IHB sampling, plotted against the experimental partition coefficient of the BioByte data set for different solvents. The red line corresponds to y = x. A color density map is used for regions with overlapping data points.