In Fig. , the average from two MD simulations at 4,000 K starting with 64 C 4 H 10 molecules is compared with the KMC predictions of the "6 MD" KMC model and the KMC predictions of a model trained on one of the two MD simulations ("4,000 K" KMC model). It can be observed that while the temperature of the MD simulations is 400 K higher than the end of the temperature training range (3,600 K), the KMC trajectories are close to the MD trajectories. Furthermore, the "6 MD" KMC model performs as well as the "4,000 K" KMC model, which is trained at the same temperature as the MD simulation. The only species of interest that is mispredicted is the number of carbon in the longest chain, as the "6 MD" KMC model overpredicts the size of the longest chain. However, this overestimation is not a problem due to the temperature extrapolation because the "4,000 K" KMC model shows the same behavior. This limitation, which is discussed in further details in our previous work , is due to the assumption made in the KMC algorithm that all atoms can equally react with each other. Whenever there is a longer hydrocarbon chain in the MD simulation, atoms at the center of the longer chain tend to react more often with other atoms within the same chain. This effect tends to form more cyclic molecules and limits the growth of the longest chain in the MD simulation, which does not occur in the KMC simulation due to the intrinsic assumptions of the model.