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. Author manuscript; available in PMC: 2019 Jun 28.
Published in final edited form as: Int J Numer Method Biomed Eng. 2019 Feb 7;35(3):e3179. doi: 10.1002/cnm.3179

FIGURE B1.

FIGURE B1

Mean absolute error (MAE) from three-fold cross-validation of EICα,κ,τH on the solvation training set are plotted against different values of τ and κ. The element interactive mean curvatures are utilized for all calculations. The best parameters and median values of MAE for each model are found to be (A) exponential-kernel model: (τ = 0.3, κ = 3.5, MAE = 0.840) and (B) Lorentz-kernel model: (τ = 1.3, κ = 3.0, MAE = 0.880)