Date Posted:
Product: ChemBioOffice Enterprise
Product: ChemBioOffice Enterprise
Problem:
Is there a way to export the Registration structures as SMILES?
Solution:
Registration does not offer the conversion to SMILES at application level. The structures can be extracted directly from the database and converted to SMILES using the CsCartridge function ConvertCDX.CDXToSMILES a sample query will look:
Select CsCartridge.ConvertCDX.CDXToSMILES(BASE64_CDX)as SMILES from REGDB.structures
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