Fig. 6.

ROC curve analyses based on comparison of simulations of pore wettability (SI Appendix, Table S1) and heuristic-based predictions. The heuristic predictions are evaluated against the simulation results for pore wettability and the relationship between sensitivity (i.e., true positive rate) and specificity (i.e., true negative rate) are defined and displayed in the standard fashion. (A) ROC curve for the heuristic model presented in the current study, indicating an optimal cutoff of Σd = 0.55 for the heuristic prediction of a closed channel. (B and C) ROC curve for predictions based on HOLE (B) and ROC curve for predictions based on HOLE plus manual correction for channels with K⁺ channel-like selectivity filters (C). In each case, the AUC is given.