We compare the ML-predicted values to the estimated experimental T1/2 obtained as the average of low-temperature (low-T) and high-temperature (high-T) of crystallization. We also compare the estimated T1/2 values of the 19 complexes to those from DFT calculations. and Supporting Information Table ). Further examination reveals the presence of an outlier only for the KRR model, i.e., an SCO complex with refcode WIHQIQ, 128 for which RF-RFA KRR severely overpredicts T1/2, predicting a T1/2 value of 723 K compared to the experimental T1/2 value of 220 K (Figure ). This complex is distinct from the majority of the complexes in the data set, which predominantly contain six Fe-N bonds, since it contains six longer Fe-S bonds (Figure ).