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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 9 months ago • 0 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 below after before comment.)

after.chembl.processing.txt before.chembl.processing.txt

epbpo avatar May 03 '24 17:05 epbpo