MSR2-RXN performs similarly to the SOTA methods on the ablation study (Rand x/y) using random splits and on the out-of-distribution splits (Test n), as shown in Table . Indeed, MSR2-RXN does not perform significantly different compared to Yield-BERT, Yield-BERT (aug.), and DRFP (paired t-test, p = 0.283, p = 1.000, and p = 0.307, respectively) and significantly better than the DFT-based method (paired t-test, p = 0.008). In addition, while it also performs below a usable threshold on the Buchwald-Hartwig ELN (electronic lab notebook) data set, it does perform better than both the BERT-and GNN-based models, coming closer in performance to DRFP.