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. Author manuscript; available in PMC: 2019 Oct 15.
Published in final edited form as: J Comput Aided Mol Des. 2018 Oct 15;32(10):1165–1177. doi: 10.1007/s10822-018-0169-z

Fig. 9.

Fig. 9

This QQ plot provides an assessment for predicted uncertainties compared to a normal distribution. Our predicted uncertainties (blue circles) out perform a fixed error of 0.75 taken from our test set RMSE (red squares), as evident by the proximity of the point to the x = y black line and a slope approaching one.