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:
Wednesday, April 15, 2009
Bioclipse2 Scripting #3: XLogP calculatation using a XMPP CDK cloud service
Labels:
Bioclipse,
CDK,
cdkws2009,
cheminformatics,
cloud service,
io-data,
xlogp,
XMPP
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