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Egon Willighagen
I guess I will try to release #cdk 1.2.7 this week
August 29, 2010
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Jean-Claude Bradley, Andrew Lang and Rajarshi Guha liked this
Any new descriptors? There were some in bioclipse not available in the CDK. I'm thinking the acidity and basicity ones.
- Andrew Lang
Those are from JOELib... you like to see those in the CDK? Please file a bug report... don't think they were difficult... just a bit of SMARTS if not mistaken...
- Egon Willighagen
Yes please. I filed a bug report.
- Andrew Lang