Workflow3NP_file11SM_file11Query_file11Score_file00Fragments_SDF11smilesFIle00Score_fileSDF_of_FragmentssmilesText_File_WriterFile0Strings1Files11org.openscience.cdk.applications.tavernacdk-taverna-2-activity2.0.5.4org.openscience.cdk.applications.taverna.io.TextFileWriterActivity Text File Writer I/O ONE FILE PER ITERATION false FILE EXTENSION .txt net.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeSDFile_WriterFile0Structures1Files11org.openscience.cdk.applications.tavernacdk-taverna-2-activity2.0.5.4org.openscience.cdk.applications.taverna.io.MDLSDFileWriterActivity SDFile Writer I/O ONE FILE PER ITERATION false FILE EXTENSION .sdf net.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeNatural_product_likeness_calculatorQuery signatures file1SM signatures file1NP signatures file1Fragment_structures11Scores11org.openscience.cdk.applications.tavernacdk-taverna-2-activity2.0.5.4org.openscience.cdk.applications.taverna.signaturescoring.NaturalProductLikenessCalculatorActivity Natural product likeness calculator Signature Scoring net.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeSMILES_File_WriterStructures1File0Files11org.openscience.cdk.applications.tavernacdk-taverna-2-activity2.0.5.4org.openscience.cdk.applications.taverna.io.SMILESFileWriterActivity SMILES File Writer I/O FILE EXTENSION .smiles net.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.3net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeText_File_WriterFileScore_fileText_File_WriterStringsNatural_product_likeness_calculatorScoresSDFile_WriterFileFragments_SDFSDFile_WriterStructuresNatural_product_likeness_calculatorFragment_structuresNatural_product_likeness_calculatorQuery signatures fileQuery_fileNatural_product_likeness_calculatorSM signatures fileSM_fileNatural_product_likeness_calculatorNP signatures fileNP_fileSMILES_File_WriterStructuresNatural_product_likeness_calculatorFragment_structuresSMILES_File_WriterFilesmilesFIleScore_fileSDFile_WriterFilesSDF_of_FragmentsText_File_WriterFilessmilesSMILES_File_WriterFiles 3b7a240c-959b-467f-bffe-a1c2f70140f0 2011-05-13 14:33:47.758 BST f606fb52-fd98-4a5f-9713-46ce3864bcdb 2012-03-17 13:45:00.283 GMT 1a7f0ea9-69c4-4743-b46d-e97f0d07372e 2011-05-11 09:46:13.646 BST e911d3db-20fa-46b2-9f40-0c200d16ec94 2012-03-17 13:48:30.247 GMT cda57d6c-4057-405d-bc7b-596161e5c0c7 2012-03-17 13:48:43.886 GMT a3f08441-6340-4349-af2a-90ae2e0187ab 2012-03-17 13:52:14.295 GMT c7898ce0-455d-4f44-9bf4-47241b947986 2011-05-13 10:16:04.442 BST 3f598b01-eb2b-41b9-88c7-e255cdac5568 2011-05-13 14:31:51.653 BST beedba56-688f-4449-a873-7ba96b91d312 2011-05-13 14:33:23.794 BST 807954a6-86fa-4b64-ab05-df3db87998b1 2012-03-17 13:44:29.794 GMT a6d616ca-6251-4f21-a071-6c8d208d6044 2012-03-16 23:58:37.178 GMT