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Searching molecules with inchikey produces large # of hits #93

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stuchalk opened this issue Feb 12, 2021 · 0 comments
Open

Searching molecules with inchikey produces large # of hits #93

stuchalk opened this issue Feb 12, 2021 · 0 comments

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@stuchalk
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stuchalk commented Feb 12, 2021 •
edited

Doing cmpds = molecule.search(identifier) where identifier is an inchikey produces a large # of hits, in fact 'REEUVFCVXKWOFE-UHFFFAOYSA-K' produces 925 hits (see attached zip file). Is this correct behaviour? Is there a way I can make it specific based on the inchikey?
REEUVFCVXKWOFE-UHFFFAOYSA-K.json.zip
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