Fig. 7: Enthalpy model performance.
From: Machine learning assisted prediction of organic salt structure properties
a Parity plot comparison of hDFT obtained via DFT and hML predicted by random forest regressor. Plotted are the results from 10 fitting-validation iterations as well as testing set average values and error bars from all 10 iterations. b Distribution of ML errors of V for 10 fitting-validation iterations. The distributions are unimodal and symmetric about their means. c Distribution of ML fractional errors in V for 10 fitting-validation iterations.
