Another notable performer is the actor-critic RL model, which achieved the lowest RMSD and barrier MAE among the models. However, caution is needed when interpreting these metrics, as the energy barrier prediction was only performed on a single Claisen rearrangement, and the RMSDs were only reported for three small SN2 reactions with six atoms. This highlights a broader limitation of all current models. They have been trained on small datasets, with the most common isomerisation/Transition1x datasets containing molecules with up to seven heavy atoms.