On average, evaluating the score of a single molecule with the ts scoring, inter scoring or path scoring function on a single core of an Intel ® Xeon ® E5-2643 v3 (3.4 GHz) takes 149±98 s, 178±158 s or 221±158 s respectively. Overall, the energies obtained from all three scoring functions show strong correlation with the Gibbs energy of activation for different molecules over a wide range of activation energies, but the ts scoring function is the fastest and most robust and is thus used going forward.