With the help of our on-the-fly predicted VB-inspired representation, MAEs of 0.99 kcal/mol (R 2 =0.76) and 1.14 kcal/mol (R 2 =0.72) are reached, respectively on the training and test set, with a simple multivariate linear model. While not significantly better than the results obtained through the tailored, empirical expression by Liu et al., it is important to note that our predictions can be performed on a millisecond scale, whereas the computed descriptor inputs needed in the empirical model require geometry generation and a succession of tedious DFT calculations.