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chembl / chembl_webservices_2

Source code of the ChEMBL web services.
https://www.ebi.ac.uk/chembl/ws
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Issue related to converting cis bond to unknow #188

Open epbpo opened 2 months ago

epbpo commented 2 months ago

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 commented 2 months ago

before chembl processing.txt after chembl processing.txt