Fig. 3. Performance of the FIREANN model for NMA.

Correlation plots of a potential energies, b dipole moments, and c polarizabilities based on field-induced recursively embedded atom (FIREANN) predictions (E_FIREANN, ${\mu }_{\mathrm{FIREANN}}$ and ${\alpha }_{\mathrm{FIREANN}}$, respectively) and Density functional theory (DFT) data (E_DFT, μ_DFT, and α_DFT, respectively) in the test set of N-methylacetamide (NMA). The root mean square error (RMSE) and Pearson Correlation Coefficient (r) are shown in the corresponding panel. Source data are provided as a Source Data file.