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egonw/Calculates the XLogP for ethoxyethane using XMPP and the CDK.js

Created April 15, 2009 19:48
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Calculates XLogP for propane using XMPP and the CDK.js
xmpp.connect();
service = xmpp.getService("descriptor.ws1.bmc.uu.se");
service.discoverSync(5000);
service.getFunctions();
f = service.getFunction("XLogP");
propane = cdk.fromSMILES("COC")
result = f.invokeSync(propane.getCML(), 900000);
cmlReturned = xmpp.toString(result);
propertyList = cml.fromString(cmlReturned);
xlogp = propertyList.getPropertyElements().get(0).
getScalarElements().get(0).getValue()
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