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Wednesday, April 15, 2009
Bioclipse2 Scripting #3: XLogP calculatation using a XMPP CDK cloud service
In preparation of the
CDK workshop
next week, here is a small
Bioclipse2
script to calculate the XLogP value for a given
SMILES
, using the a CDK-based
XMPP service
:
Earlier in this series:
Bioclipse2 Scripting #1: from SMILES to a UFF optimized structure in Jmol
Bioclipse2 Scripting #2: searching PubChem
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