ncats / lychi

Layered Chemical Identifier
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2 different structures are perceived as same #21

Open ChemMitch opened 2 years ago

ChemMitch commented 2 years ago

The structures for IDs NCGC00249389 and NCGC00386324 appear fairly similar but there is a difference in the position of a heteratom within a ring. Nevertheless, the 2 compounds have the same Lychi L1-3.

This fix would be useful for the NSRS project.