Fig. 5: Volume model performance.
From: Machine learning assisted prediction of organic salt structure properties
a Heat map showing the distribution of testing data of VDFT obtained via DFT and VML predicted by random forest regressor. Plotted are the results from the testing set average values averaged over all 10 iterations. Dashed red line guides the eye to show VDFT = VML. b Distribution of ML errors of V for 10 fitting-validation iterations. c Distribution of ML fractional errors in V for 10 fitting-validation iterations.
