With a mean error in ΔEe(rxn) of -12 kcal mol -1 , the DFAs show a propensity to predict a reaction energy that is too exergonic, as seen vividly in Figure . Within our pruned sample set (Table ), all DFAs but one overestimate the exergonic nature of this reaction, some by merely 0.7 kcal mol are in the (7.9, 4.8, 4.4) %-iles in this category, whereas LDA0 is in %-ile 21.1.