An issue which can come up a number of times is structures being drawn in different tautomeric forms (i.e. 2-Hydroxypyridine or 2-Pyridinone). Is it possible to have a node which will standardise a dataset into the same tautomeric forms.
This is useful for comparing molecules, and in particular when undertaking R-Group Decompositions, etc.
I have never found a good way around this problem.