In the scope of this paper, we tested partial charges, bond indices and AIM indicators as indicators for bond cleavage. While these were shown to be suited for the task at hand, we would like to acknowledge that there are many more quantum chemical descriptors and new ones are continuously being developed. A recent example is the polarisability, recently reported by the Head-Gordon. In principle, any quantum chemical descriptor can be used as long as it shows a continuous change in value along the bond dissociation. In principle, any method for the computation of the entropy can be employed. The quality of the estimated entropy curve is highly dependent on the quality of the entropy values for the equilibrium structures. While our methodology is rigorous and straight forward, a remaining challenge is to determine the threshold value γ cleave as it impacts the reaction barrier. Given the limited dataset, we assume that for gas phase reaction a γ cleave of around 0.005 is adequate, while a higher value is proposed for reactions taking place in solution γ cleave , we propose 0.05. If several barrierless steps appear in a reaction profile, we assume the differences in the nature of the dissociating ligand will be captured, as long as the for all diffusion controlled elemental steps the same γ cleave is chosen.