Figure 5.

Our sourced literature logS values (see Table A1 for references) plotted against Avdeef’s average log S values [45] for 89 compounds from the 2019 Solubility Challenge tight test set of 100 molecules. Compounds with differences of under 0.5 (blue), 0.5 to 1.0 (green), 1.0 to 2.0 (orange), and over 2.0 logS units (red) are shown in their respective colours. The black diagonal line shows equality of literature and Avdeef solubilities, while the grey line is a line of best fit to the data.