Fig. 8. ANN model predicted (ANN, blue bars) and computed (data, gray bars) spin-state splitting sensitivities to HF exchange, , in kcal per mol per HFX, for Fe³⁺ complexes. Complexes are labeled as equatorial and then axial ligands according to the numbering indicated in Fig. 1 and color-coded by direct ligand atom (green for chlorine, gray for carbon, blue for nitrogen, red for oxygen, and orange for sulfur). The error bars represent an estimated ±1 standard deviation credible interval from the mean prediction, and error bars that do not encompass the computed value are highlighted in red.