Generate_CombiUgi_librarygoogleSpreadsheetId00 A name of a chemical compound 2010-08-05 16:20:20.465 BST benzoic acid 2010-08-05 16:13:22.921 BST tR6lhYF_iqGdmceaAg-WRLg 2010-08-10 12:07:30.175 BST O=C(O)C=Cc1ccccc1 2010-08-09 11:42:39.208 BST An Google spreadsheet Id 2010-08-10 12:07:52.704 BST An Google spreadsheet Id containing smiles strings of compounds to undergo virtual Ugi reactions 2010-08-10 12:08:34.762 BST csvgetCombiUgiLibraryurl0contents00net.sf.taverna.t2.activitieslocalworker-activity1.1net.sf.taverna.t2.activities.localworker.LocalworkerActivity org.embl.ebi.escience.scuflworkers.java.WebPageFetcher workflow java.lang.String true url 0 'text/x-taverna-web-url' java.lang.String true base 0 'text/x-taverna-web-url' 0 contents 0 'text/plain,text/html' net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.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.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokecreateUrlspreadsheetId0url00net.sf.taverna.t2.activitiesbeanshell-activity1.1net.sf.taverna.t2.activities.beanshell.BeanshellActivity workflow java.lang.String true spreadsheetId 0 text/plain 0 url 0 net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.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.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.1net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokegetCombiUgiLibraryurlcreateUrlurlcreateUrlspreadsheetIdgoogleSpreadsheetIdcsvgetCombiUgiLibrarycontents Predicts descriptor values using a model derived from a linear regression analysis of the Open Notebook Science solubility data and literature values. The workflow returns all the Abraham descriptors E, S, A, B and V in a HTML file. 2010-08-05 16:21:36.178 BST Generates a CombiUgi library using data from a Goolgle spreadsheet containing smiles strings of compounds to undergo virtual Ugi reactions 2010-08-10 12:14:53.397 BST Generate CombiUgi library 2010-08-10 12:13:47.663 BST Peter Li 2010-08-05 16:20:24.971 BST Predicts descriptor values using a model derived from a linear regression analysis of the Open Notebook Science solubility data and literature values 2010-08-05 16:21:12.464 BST Predict Abraham descriptors 2010-08-05 16:20:39.835 BST