Ertl algorithm for functional groups
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Calc plugins
With a similar, large sdf file I receive a bunch of errors, starting with a CDKexception for smiles generation and ending with an UTF8 issue Jun 01, 2017 3:21:53 PM edu.udo.scaffoldhunter.model.util.CanonicalSmilesGenerator createSMILES SCHWERWIEGEND: Smiles generation failed org.openscience.cdk.exception.CDKException: Unsupported bond order: UNSET at org.openscience.cdk.smiles.CDKToBeam.toBeamEdgeLabel(CDKToBeam.java:270) at org.openscience.cdk.smiles.CDKToBeam.toBeamEdge(CDKToBeam.java:240) at...
Is that structure hiding only for export or is it of interest to fix the semantix...
Inactive cloud options partly visible
Subset contains no scaffolds error
Scaffold Tree level expansion bug