SmilesToInchismiles00 A SMILES string representing a chemical compound 2010-07-09 15:35:36.1 BST c1ccccc1CC(=O)C(N)CC1CCCCOC1 2010-07-09 15:35:19.353 BST inchiSMILESToInChIparameters0parameters00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.WSDLActivity http://www.chemspider.com/InChI.asmx?WSDL SMILESToInChI net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeSMILESToInChI_inputsmiles0output00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLInputSplitterActivity <s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:complextype optional="false" unbounded="false" typename="SMILESToInChI" name="parameters" qname="{http://www.chemspider.com/}SMILESToInChI"><s:elements><s:basetype optional="true" unbounded="false" typename="string" name="smiles" qname="{http://www.chemspider.com/}&gt;SMILESToInChI&gt;smiles" /></s:elements></s:complextype></s:extensions> false smiles 0 'text/plain' 0 output 0 'text/xml' net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeSMILESToInChI_outputinput0SMILESToInChIResult00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLOutputSplitterActivity <s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:complextype optional="false" unbounded="false" typename="SMILESToInChIResponse" name="parameters" qname="{http://www.chemspider.com/}SMILESToInChIResponse"><s:elements><s:basetype optional="true" unbounded="false" typename="string" name="SMILESToInChIResult" qname="{http://www.chemspider.com/}&gt;SMILESToInChIResponse&gt;SMILESToInChIResult" /></s:elements></s:complextype></s:extensions> java.lang.String false input 0 'text/xml' 0 SMILESToInChIResult 0 'text/plain' net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeSMILESToInChIparametersSMILESToInChI_inputoutputSMILESToInChI_inputsmilessmilesSMILESToInChI_outputinputSMILESToInChIparametersinchiSMILESToInChI_outputSMILESToInChIResult SmilesToInchi 2010-07-09 15:35:57.914 BST ce7bedb4-ffb9-4bb5-9a73-379935fefa89 2010-07-09 15:36:15.493 BST Convert SMILES to InChI. Result is v1.02s InChI. 2010-07-09 15:36:04.430 BST Peter Li 2010-07-09 15:35:44.78 BST