1.9.4. Find Tautomer Duplicates

Find Tautomer Duplicates is an extension of Find Duplicates that identifies tautomerically equivalent forms. For example, the two structures shown below are tautomers of each other - an imine-enamine pair:

DATA>>Find Duplicates will not detect any duplication in this case, but DATA>>Find Tautomer Duplicates will. It will also create a column called Tautomers column if one does not already exist) indicating that the second compound is a tautomer of the first.

Note that as of ADMET Predictor version 10.4, this feature considers exact structural duplicates to be tautomers of one another.