For ds4, models were trained to predict distortion energies for the dimethyl malonate nucleophile and the MA. The best predictions were obtained once again using SVR with a test set MAE of 0.50 (RS=23) and 1.05 kcal mol -1 (RS=14) for nucleophile and MA respectively (Fig. ). When averaged over five random states, test set predictions were 0.54 ± 0.06 kcal mol -1 and 1.27 ± 0.17 kcal mol -1 for nucleophile and MA, respectively. Overall, these results are a significant improvement on the pre-ML metrics. For full metrics and figures see ESI, section 4.3, Table . Similar performance was seen when models were built to predict the distortion energies of the nucleophile and MA of ds1 (see Table ). The low test set MAEs seen for the ds4 but especially the ds1 nucleophiles are likely due to the minimal conformational flexibility of these species which results in fewer distorted conformations across the entire dataset thus making the task of correcting their SQM energies an easier one.