CTY-TAD simulations ran from 3.2 to 15.5 hours, while PESmapping simulations were capped at two hours. For PESmapping, average computation time per reaction is calculated from runs that successfully detected a reaction. In contrast, for CTY-TAD, computation times of parallel simulations were included even if a specific reaction was not detected. The reason for this is the search algorithm within CTY-TAD which searches for all possible products and does not pose restrictions on the dynamics inside the reactant basin, so even when a specific reaction is not detected, the computation time adds to the search effort. This is in contrast to PESmapping which introduces a specific restrictive energy bias to search for specific connectivity changes only. Thus, the PESmapping computation times per reaction are generally lower than the ones of CTY-TAD. Calculations of the computation times per reaction of CTY-TAD are treated with the rare event statistics by Kröger et al. . This allows to assign an uncertainty range to the average time each reaction took to be discovered.