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Published 20 hours ago • verified publisher icon chembl

Issue related to converting cis bond to unknow

Open epbpo opened this issue 10 months ago • 1 comments

After processing to Chembl Standardization functions, a double bond inside a 5-membered ring (which can only be cis) is converted to crossed (unknown cis/trans) type double bond - two examples are shown here along with molfile in belwo comment. MicrosoftTeams-image (87) MicrosoftTeams-image (88)

epbpo avatar Apr 16 '24 09:04 epbpo

before chembl processing.txt after chembl processing.txt

epbpo avatar Apr 16 '24 12:04 epbpo