Experimental T1/2 values mostly range from 100 K to 375 K for the complexes in SCO-95 data set, with two outliers (refcodes: EXARAY 123 and ESOSOW 124 ) closer to 450 K (Figure and Supporting Information Figure ). In this study, we train ML models on T1/2 values of all 76 complexes and also on 74 complexes after removing the two outliers to understand how their exclusion affects model performance. We then use the trained ML models to predict transition temperatures for the remaining 19 complexes for which experimental T1/2 values are not reported.