where p 1 is the probability of finding Reaction 1 (e.g. 10/100 = 0.10 for k push =0.05, α=0.3, and s=0.8, cf. Table ). We select k push =0.05, α=0.3, and s=0.8 as the best combination of k push , α, and s since that results in the lowest value of N 99 for thus molecule. The results of these 100 trajectories are thus analysed further. Overall, the 100 trajectories resulted in 31 different products, 30 of which are below 30 kcal/mol (Figure ). Fifteen of these 30 reactions have estimated reaction barriers lower than 50 kcal/mol and these were subjected to DFT refinement. DFT TSs are located for all 15 reactions, but only six connect to 3-hydroperoxypropanal and these six correspond to the three reactions with lowest barrier (Figure ). Using GFN2-xTB criterion 1, 2, and 3 reduces the number of DFT refinements to 4, 12, and 14, respectively. Again, using criterion 1, Reaction 2 is not identified whereas using criterion 2 or 3 Reactions 1-3 are all identified by the subsequent DFT refinement. If GFN1-xTB is used instead, criterion 1, 2, and 3 reduces the number of DFT refinements to 6, 11, and 14, respectively and the subsequent DFT refinements identify Reactions 1-3.