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. Author manuscript; available in PMC: 2015 Aug 27.
Published in final edited form as: J Chem Inf Model. 2015 Jul 9;55(7):1316–1322. doi: 10.1021/acs.jcim.5b00206

Figure 1.

Figure 1

For the black data alone, R2 = 0.49, while for the combined data the regression line is the same but R2 = 0.79. The RMSE is the same in each case, as the red and black residuals are identical, but increasing the range of activity values in the data increases R2.