There was substantial variability in the substructure that the bit in Figure crossed. Some of the molecules in the LEF4000 that contained this bit had larger rings, such as the molecule in Figure . Some did not have a ring in that position. The fingerprint does not encode whether an atom is in a ring and therefore the substructure it matched could be a chain. Other bits also re-weighted along with this bit did contain the full azetidine ring. This suggested a more subtle effect of clusters of bits encoding different parts of the same substructure being re-weighted to better fit the data. Because the fluorine fingerprint does not contain stereochemical or ring information, the path from Figure can also be found in Figure . The appearance of the fingerprint feature in Figure and the re-weighting of the feature in Figure will have influenced each other in model training.