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ncats / lychi

Layered Chemical Identifier
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imidazole not tautomers #13

Closed olegursu closed 10 years ago

olegursu commented 10 years ago

Hi Trung

In the example below

example

Lychi considers the structures above as tautomers (same hash key) with -keto-enol option off, however the number of hydrogens is not the same so they should be perhaps get different hash keys.

caodac commented 10 years ago

Hi Oleg, this is an example of what the InChI technical document considers as "hard" deprotonation (pages 35-6 under section "Normalization Limits"). Likewise, see the methazomalide example in this paper.