Predict_chemical_solubility_in_solventssolute00n1cc(ccc1)[C@H]2N(C)CCC22010-08-04 10:32:15.188 BSTAn chemical compound in SMILES format2010-08-04 11:20:30.710 BSTAn organic compound in SMILES format2010-08-04 10:32:33.348 BSTsolubilitypredictSolubilitysolute0solvent0solubility00net.sf.taverna.t2.activitiesdataflow-activity1.1net.sf.taverna.t2.activities.dataflow.DataflowActivitynet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeselectSolventdelimiter0data0out11net.sf.taverna.t2.activitiesdataflow-activity1.1net.sf.taverna.t2.activities.dataflow.DataflowActivitynet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Invokedelimiter_valuevalue00net.sf.taverna.t2.activitiesstringconstant-activity1.1net.sf.taverna.t2.activities.stringconstant.StringConstantActivity;net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Invokedata_valuevalue00net.sf.taverna.t2.activitiesstringconstant-activity1.1net.sf.taverna.t2.activities.stringconstant.StringConstantActivity1-butanol;1-chlorobutane;1-decanol;1-heptanol;1-hexanol;1-octanol;1-pentanol;1-propanol;1,2-dichloroethane;1,4-dioxane;2-butanol;2-methyl-1-propanol;2-methyl-2-propanol;2-pentanol;2-propanol;2,2,4-trimethylpentane;3-methyl-1-butanol;acetone;acetonitrile;benzene;bromobenzene;butanone;butylacetate;carbondisulfide;carbontetrachloride;chlorobenzene;chloroform;cyclohexane;cyclohexanone;decane;dibutylether;dibutylformamide;dichloromethane;diethylether;diethylacetamide;dimethylacetamide;DMF;DMSO;dodecane;ethanol;ethylacetate;ethyleneglycol;fluorobenzene;formamide;heptane;hexadecane;hexane;iodobenzene;isopropylmyristate;methanol;methylacetate;methyltert-butylether;methylcyclohexane;N-ethylacetamide;N-ethylformamide;N-formylmorpholine;N-methyl-2-piperidone;N-methylacetamide;N-methylformamide;N-methylpyrrolidinone;nitrobenzene;nitromethane;nonane;octadecenol;octane;pentane;THF;toluene;tributylphosphate;trifluoroethanol;undecane;waternet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokepredictSolubilitysolutepredictSolubilitysolventselectSolventdelimiterselectSolventdatasolubilityPeter Li2010-08-04 11:41:04.236 BSTPredicts solubility in molar units for a given chemical compound represented as a SMILES string in a given solvent. Uses a beanshell script to enable the user to select the solvent from a list.2010-08-04 11:40:34.388 BSTPredict chemical solubility in solvents2010-08-04 11:41:00.353 BSTselectworkerdata00delimiter00outtext/plain2010-08-04 10:44:31.336 BSTselectDatainputList1outputList11net.sf.taverna.t2.activitiesbeanshell-activity1.1net.sf.taverna.t2.activities.beanshell.BeanshellActivityworkflowjava.lang.StringtrueinputList1l('text/plain')1outputList1l('text/plain')net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0000net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Invokesplitstring0regex0split11net.sf.taverna.t2.activitieslocalworker-activity1.1net.sf.taverna.t2.activities.localworker.LocalworkerActivityorg.embl.ebi.escience.scuflworkers.java.SplitByRegexworkflowjava.lang.Stringtruestring0'text/plain'java.lang.Stringtrueregex0'text/plain'1split1l('text/plain')net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0000net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeselectDatainputListsplitstringsplitregexoutThis workflow shows how the selectData beanshell script can be used to select items from a given list for analysis by downstream processors.2010-08-04 10:44:31.346 BSTselectworker2010-08-04 10:44:31.346 BSTPeter Li2010-08-04 10:44:31.346 BSTWorkflow1solute00solvent00solubilitypredictSolubilityurl0contents00net.sf.taverna.t2.activitieslocalworker-activity1.1net.sf.taverna.t2.activities.localworker.LocalworkerActivityorg.embl.ebi.escience.scuflworkers.java.WebPageFetcherworkflowjava.lang.Stringtrueurl0'text/x-taverna-web-url'java.lang.Stringtruebase0'text/x-taverna-web-url'0contents0'text/plain,text/html'net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokecreateUrlsolute0solvent0url00net.sf.taverna.t2.activitiesbeanshell-activity1.1net.sf.taverna.t2.activities.beanshell.BeanshellActivityworkflowjava.lang.Stringtruesolute0text/plainjava.lang.Stringtruesolvent0text/plain0url0net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize1net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry1.0100050000net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokepredictSolubilityurlcreateUrlsolutecreateUrlsolventsolubility