rdkit-rs / cheminee

The chemistry search stack
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Tautomer limits need to be respected (as do result limits) #88

Closed JJ-Pineda closed 3 months ago

JJ-Pineda commented 3 months ago

Currently, cheminee is using all available tautomers by default if the tautomer limit is set to be positive. This is potentially problematic for cases where the query compound has many potential tautomers. Similarly, the result limit is not respected when tautomers are used.