Chemical2URIsChem_name00Can be the trivial name, SMILES, InChI, InChIKey, or Chemical Abstract Service number.2015-08-18 14:49:51.128 UTCRetinoic acid2015-08-18 14:49:56.946 UTCuri_out2Chemical_name_to_chemspider_IDToken0ChemicalNameOrID0CSIDs11This workflow maps a chemical name to a ChemSpider identifier.2015-08-18 14:47:38.290 UTCnet.sf.taverna.t2.activitiesdataflow-activity1.5net.sf.taverna.t2.activities.dataflow.DataflowActivitynet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeTokenvalue00The value should be your ChemSpider token.2015-08-18 14:49:20.676 UTCnet.sf.taverna.t2.activitiesstringconstant-activity1.5net.sf.taverna.t2.activities.stringconstant.StringConstantActivityyour token herenet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeWorkflow40id_in0mapped_uris11This workflow maps a ChemSpider identifier to uniform resource identifiers using the Open PHACTS platform.2015-08-18 14:48:16.891 UTCnet.sf.taverna.t2.activitiesdataflow-activity1.5net.sf.taverna.t2.activities.dataflow.DataflowActivitynet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeChemical_name_to_chemspider_IDTokenChemical_name_to_chemspider_IDChemicalNameOrIDWorkflow40id_inuri_outChemical2URIs2015-08-18 14:44:27.962 UTCf4f35d59-0220-4a45-b050-751a896a55e02015-08-18 14:48:18.997 UTC623f3109-d7b4-44c6-a0c4-2b0124e43f252015-08-18 14:50:02.532 UTCc72f4ed0-5145-4343-b46b-e5b731a7de082015-04-10 09:36:20.285 UTCaffff037-1aa4-4e26-a142-4760933a9d672015-04-10 09:47:14.582 UTCf98b1394-4405-4468-a26a-f320bd90fce62015-04-10 10:01:44.753 UTCThis workflow will map a chemical name or identifier to uniform resource identifiers (URIs). First the ChemSpider web service is used to map the chemical name to a ChemSpider identifier, then the ChemSpider identifier is mapped to URIs via the Open PHACTS platform.2015-08-18 14:46:22.729 UTC2b23429c-f805-4bdf-a9fb-cd15f84fa0d52015-04-10 09:36:56.292 UTCf078815c-e639-4fb6-ba4c-b7dc5e7a3be72015-04-10 09:44:57.162 UTCKristina Hettne and Eelke van der Horst2015-08-18 14:43:46.464 UTC2e96458a-2295-427c-b2c7-92b494788b942015-08-18 14:57:32.825 UTC28b025e7-d020-468e-89a2-8f369ee2be732015-08-18 13:48:25.770 UTCc85aa525-6ed1-4551-92f8-4a65572efb072015-08-18 14:46:23.5 UTCf1e5240c-b14e-4b59-bdee-cea8aa8fbab02015-08-18 14:53:59.673 UTC9f7440b0-548f-4525-8e38-54c01f1007072015-08-18 14:09:50.878 UTCChemical_name_to_chemspider_IDChemicalNameOrID00Retinoic acid2011-09-20 13:21:39.653 UTCCan be the trivial name, SMILES, InChI, InChIKey, or Chemical Abstract Service number.2012-05-30 14:25:58.790 UTCToken00Your token2015-08-18 14:54:18.216 UTCSecurity token needed to query the services. Information about how to recieve a token can be find here: http://www.chemspider.com/help-create-a-chemspider-account.aspx2015-08-18 14:40:12.177 UTCCSIDs153372015-08-18 14:42:34.345 UTCReturns the ChemSpider IDs associated with the input.2012-05-30 14:26:38.333 UTCSimpleSearchparameters0parameters00This service will query the ChemSpider database for the input name or identifier and return the ChemSpider identifier.2015-08-18 14:41:57.353 UTCnet.sf.taverna.t2.activitieswsdl-activity1.5net.sf.taverna.t2.activities.wsdl.WSDLActivityhttp://www.chemspider.com/Search.asmx?WSDLSimpleSearchnet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeSimpleSearch_inputquery0token0output00net.sf.taverna.t2.activitieswsdl-activity1.5net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLInputSplitterActivityquery0'text/plain'falsetoken0'text/plain'falseoutput0'text/xml'0<s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:complextype optional="false" unbounded="false" typename="SimpleSearch" name="parameters" qname="{http://www.chemspider.com/}SimpleSearch"><s:elements><s:basetype optional="true" unbounded="false" typename="string" name="query" qname="{http://www.chemspider.com/}>SimpleSearch>query" /><s:basetype optional="true" unbounded="false" typename="string" name="token" qname="{http://www.chemspider.com/}>SimpleSearch>token" /></s:elements></s:complextype></s:extensions>net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeSimpleSearch_outputinput0SimpleSearchResult11net.sf.taverna.t2.activitieswsdl-activity1.5net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLOutputSplitterActivityinput0'text/xml'java.lang.StringfalseSimpleSearchResult1l('text/plain')1<s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:complextype optional="false" unbounded="false" typename="SimpleSearchResponse" name="parameters" qname="{http://www.chemspider.com/}SimpleSearchResponse"><s:elements><s:arraytype optional="true" unbounded="false" wrapped="true" typename="ArrayOfInt" name="SimpleSearchResult" qname="{http://www.chemspider.com/}>SimpleSearchResponse>SimpleSearchResult"><s:elementtype><s:basetype optional="false" unbounded="false" typename="int" name="" qname="{http://www.w3.org/2001/XMLSchema}int" /></s:elementtype></s:arraytype></s:elements></s:complextype></s:extensions>net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeSimpleSearchparametersSimpleSearch_inputquerySimpleSearch_inputtokenSimpleSearch_outputinputCSIDs91a055d7-16e2-4aea-87f6-9d88684942302015-08-18 14:41:57.503 UTC4c9bdeb7-cdff-432f-98fe-db6cf58ee3052011-09-20 15:49:53.11 UTCChemical name to chemspider ID2011-09-20 13:24:08.709 UTC1079101b-cec7-471e-b0d7-3f0aca2429c42015-04-09 19:00:24.114 UTCKristina Hettne2011-09-20 13:23:51.287 UTC4f05d0b1-0603-4eef-9f16-23a71184827f2012-06-01 12:26:06.691 UTCc1870043-7462-4901-877f-6fe6b700b0da2012-05-30 14:48:11.587 UTC327d1442-d467-44fa-95d7-5bb37d8d1dbb2012-06-01 12:33:19.662 UTC4baed6ef-c1ba-469b-8cd2-cce6740845662011-09-20 13:39:00.918 UTC003ca301-aa6c-4d35-ad04-a97df8f3647f2015-08-18 14:08:57.798 UTC4d36b81c-76f0-44fb-ae84-6fa0ba3c0c392011-09-20 13:22:33.814 UTC7875740c-d4cd-4313-bf69-e324a3fc4ee52015-08-18 14:42:37.182 UTCda175cb5-7493-49a5-bff5-b7b3d213e57f2011-09-20 15:45:15.659 UTC224a7f0b-75eb-481c-95bb-6b9cfff66e4e2015-08-18 14:00:53.423 UTC9364dbb2-c07f-46be-8041-0b5fa8fb81d02015-08-18 14:54:21.897 UTCCSID2OPSuriid_in0024252015-08-18 14:31:56.6 UTCChemSpider identifier2015-08-18 14:32:15.956 UTCmapped_uris1Unique resource identifiers mapped to the input ChemSpider identifier.2015-08-18 14:32:59.351 UTChttp://www.conceptwiki.org/concept/index/1a8fa9d2-b16b-4b8e-b511-5e976c644de02015-08-18 14:33:33.574 UTCREST_Serviceid0responseBody00This implementation use the mapURI REST service that queries the Open PHACTS identity mapping service (IMS) for uniform resource identifiers mapped to a ChemSpider identifier. The APP_ID and APP_KEY variables in the URL Template field needs to be replaced with your Open PHACTS application id and key. They can be requested from here: https://dev.openphacts.org/login2015-08-18 14:56:44.469 UTCnet.sf.taverna.t2.activitiesrest-activity1.5net.sf.taverna.t2.activities.rest.RESTActivityGEThttps://beta.openphacts.org/1.4/mapUri?app_id=APP_ID&app_key=APP_KEY&Uri=http%3A%2F%2Fwww.chemspider.com%2F{id}&_format=xmlapplication/xmlapplication/xmlStringfalsefalsefalsefalsetrueidjava.lang.Stringnet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeXPath_Servicexml_text0nodelist11The XPath service provides fast processing of XML data.2015-08-18 14:30:40.501 UTCnet.sf.taverna.t2.activitiesxpath-activity1.5net.sf.taverna.t2.activities.xpath.XPathActivity<?xml version="1.0" encoding="utf-8"?>
<result format="linked-data-api" version="1.4" href="https://beta.openphacts.org/1.4/mapUri?app_id=3412d473&app_key=56aa04973091c2a1fb235ad84cd9fdbd&Uri=http%3A%2F%2Fwww%2Echemspider%2Ecom%2F597&_format=xml"><primaryTopic href="http://www.chemspider.com/597"><exactMatch><item href="http://rdf.chemspider.com/597"/><item href="http://info.identifiers.org/chemspider/597"/><item href="http://purl.org/obo/owl/CHEBI#CHEBI_17822"/><item href="http://www.conceptwiki.org/web-ws/concept/get?uuid=a30fdee1-0b48-49a5-8bef-afefb03350d0"/><item href="http://purl.bioontology.org/ontology/MSH/C027794"/><item href="http://info.identifiers.org/mesh/D012694"/><item href="http://www.conceptwiki.org/concept/index/a30fdee1-0b48-49a5-8bef-afefb03350d0"/><item href="http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17822"/><item href="http://identifiers.org/chemspider/597"/><item href="http://info.identifiers.org/chebi/CHEBI:35243"/><item href="http://ops.rsc.org/OPS366770/rdf"/><item href="http://ops.rsc-us.org/OPS366770"/><item href="http://identifiers.org/chebi/CHEBI:17822"/><item href="http://bioportal.bioontology.org/ontologies/1351?p=terms&conceptid=D012694"/><item href="http://identifiers.org/obo.chebi/CHEBI:17822"/><item href="http://www.ebi.ac.uk/ontology-lookup/?termId=CHEBI:35243"/><item href="http://ops.rsc.org/Compounds/Get/1769784"/><item href="http://bio2rdf.org/chebi:17822"/><item href="http://purl.obolibrary.org/obo/CHEBI_35243"/><item href="http://www.chemspider.com/597"/><item href="http://identifiers.org/mesh/D012694"/><item href="http://www.chemspider.com/Chemical-Structure.597.html"/><item href="http://bio2rdf.org/mesh:D012694"/><item href="http://bio2rdf.org/chebi:35243"/><item href="http://identifiers.org/chebi/CHEBI:35243"/><item href="http://www.chemspider.com/Chemical-Structure.597"/><item href="http://purl.bioontology.org/ontology/CHEBI/CHEBI:35243"/><item href="http://identifiers.org/mesh/C027794"/><item href="http://www.conceptwiki.org/concept/a30fdee1-0b48-49a5-8bef-afefb03350d0"/><item href="http://purl.bioontology.org/ontology/MSH/D012694"/><item href="http://ops.rsc.org/Compounds/Get/366770"/><item href="http://purl.obolibrary.org/obo/CHEBI_17822"/><item href="http://www.ebi.ac.uk/ontology-lookup/?termId=CHEBI:17822"/><item href="http://ops.rsc.org/OPS366770"/><item href="http://ops.rsc.org/OPS1769784"/><item href="http://identifiers.org/obo.chebi/CHEBI:35243"/><item href="http://bio2rdf.org/mesh:C027794"/><item href="http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35243"/><item href="http://www.chemspider.com/Chemical-Structure.597.rdf"/><item href="http://info.identifiers.org/mesh/C027794"/><item href="http://ops.rsc.org/OPS1769784/rdf"/><item href="http://ops.rsc-us.org/OPS1769784"/><item href="http://purl.org/obo/owl/CHEBI#CHEBI_35243"/><item href="http://bioportal.bioontology.org/ontologies/1351?p=terms&conceptid=C027794"/><item href="http://info.identifiers.org/chebi/CHEBI:17822"/><item href="http://purl.bioontology.org/ontology/CHEBI/CHEBI:17822"/></exactMatch></primaryTopic><extendedMetadataVersion href="https://beta.openphacts.org/1.4/mapUri?app_id=3412d473&app_key=56aa04973091c2a1fb235ad84cd9fdbd&Uri=http%3A%2F%2Fwww%2Echemspider%2Ecom%2F597&_format=xml&_metadata=all%2Cviews%2Cformats%2Cexecution%2Cbindings%2Csite"/><definition href="https://beta.openphacts.org/api-config"/></result>/result/primaryTopic/exactMatch/item/@hrefnet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.5net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeREST_ServiceidXPath_Servicexml_textmapped_urisCSID2OPSuri2015-08-18 14:34:51.119 UTC808ffbd3-f186-4edf-83ad-2336054ae42f2015-08-18 14:56:44.583 UTCdc844961-6060-4366-b088-8476a11fb0442015-04-10 09:55:32.437 UTCe3f1b74e-43d1-4d06-9489-c6e86ff2c5fc2015-08-18 14:33:33.702 UTC5d2b7282-7282-45b4-b6bc-d21ea5eccc642015-04-10 10:00:41.334 UTCThis workflow uses the mapURI REST service to map a ChemSpider identifier to uniform resource identifiers from the Open PHACTS platform.
NOTE: The APP_ID and APP_KEY variables in the URL Template field needs to be replaced with your Open PHACTS application id and key. They can be requested from here: https://dev.openphacts.org/login2015-08-18 14:57:00.357 UTC242e5a67-36a2-49ac-9b1d-3dbfc1315f512015-04-10 09:50:20.561 UTC115e44da-11e4-4fb6-a62e-b8b7f47c5cf22015-08-18 14:57:01.992 UTC54b50c02-f1fc-4bfb-9ab1-ec053ec33fa22015-08-18 14:30:11.614 UTC0df3fea9-f686-411a-b285-6cd6bb5c60e22015-08-18 14:36:37.461 UTCaa8c1e03-377c-4f1c-9789-7666c0afbcca2015-08-18 14:38:03.479 UTC62d6140b-0e10-47e2-971c-5a3fe888845e2015-04-10 09:57:16.631 UTCKristina Hettne and Eelke van der Horst2015-08-18 14:34:01.768 UTC