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
Doing
cmpds = molecule.search(identifier)
whereidentifier
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