The out-of-distribution detection presented here can be seen to lack some beneficial complexity. Splitting samples by number of unknown bits and Dice similarity cannot take into account the re-weighting of known features that we observed in the LEF expansion upon the addition of tranche 1. Furthermore, the OOD detection could be extended to specifically focus on phenomena that QM can handle and the ML method based on the fluorine fingerprint cannot, such as stereochemical effects.