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marcabrus / TBVegaAddin

Vega integration inside the QSAR Toolbox
https://repository.qsartoolbox.org/Tools/Details/0ca4e472-82a8-4543-aeca-b5a29026d035
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Unable to perform Applicability Domain check #3

Closed marcabrus closed 4 years ago

marcabrus commented 4 years ago

[11/15/2020 18:46:14] Warning While calculate c1ccccc1 by model VEGA - Ready Biodegradability model (IRFMN): Unable to perform Applicability Domain check [11/15/2020 20:06:36] Warning While calculate c1ccccc1 by model VEGA - Hepatotoxicity model (IRFMN): Unable to perform Applicability Domain check [11/15/2020 20:07:40] Warning While calculate c1ccccc1 by model VEGA - Bee acute toxicity model (KNN/IRFMN): Unable to perform Applicability Domain check

marcabrus commented 4 years ago

bees Reasons: Exception(s) on server Exception(s) on server While executing session method: QueryTaskProgress Parameters:

Parameter type=LMC.Toolbox.CS.Declarations.Session.SessionAPIParameters.GetInfo.SessionQueryTaskParameters ServerMethodName=QueryTaskProgress Created: 08:30:32.238 Delivered on server: N/A QueryTaskName = PredictChemicalsByQsar Target document Id = 2 Target list Id = 4

=== LMC.Toolbox.CS.Declarations.Session.SessionAPIParameters.Qsars.PredictChemicalsByQsarAPIResult Server task Id=24 ServeActionCaption: Predict chemical(s) by QSAR WorkingMs: 303 Logged exception from server: System.Exception: "Strong toxicity (lower than 1 µg/bee)" is not a prediction for the declared scale. in VegaAddins.Qsar.Utilities.ConvertData(String stringvalue, TbScale ScaleDeclaration, Dictionary2 Modelinfo) in C:\Users\kosmu\source\repos\marcabrus\TBVegaAddin\Qsar\Utilities.cs:riga 39 in VegaAddins.Qsar.QsarAddinDefinitions.GetSet(Dictionary2 Modelinfo, TbScale ScaleDeclaration, String Set) in C:\Users\kosmu\source\repos\marcabrus\TBVegaAddin\Qsar\QsarAddinDefinitions.cs:riga 105 in VegaAddins.Qsar.TbQsarAddinFactory.TrainingSet(ITbWorkTask task) in C:\Users\kosmu\source\repos\marcabrus\TBVegaAddin\Qsar\TbQsarAddinFactory.cs:riga 143 in LMC.Toolbox.Server.ObjectManager.TbObjectFactoryWrappers.TbQsarWrapper.RegisterQsarChemSet(IToolboxQsarChemSetData existing, QsarChemicalSetType setType, Int32 statCount, Int32 statPropCount, IDomainTask domainTask) in LMC.Toolbox.Server.ObjectManager.TbObjectFactoryWrappers.TbQsarWrapper.InternalPrepareChemicalsSets(ITbWorkTask task) in LMC.Toolbox.Server.ObjectManager.TbObjectFactoryWrappers.TbQsarWrapper.GetTrainingSetData(IToolboxTask task) in LMC.Toolbox.Server.Domain.Prediction.ToolboxQsarPrediction.GetPredictionChemicals(IToolboxTask task) in LMC.Toolbox.Server.Domain.Tools.PredictionTools.UpdateBasicQsarPrediction(IDomainTask task, ToolboxQsarPrediction prediction, String qsarReferenceString, IStructure targetChemical, Double[] xPredictors) in LMC.Toolbox.Server.ObjectManager.TbObjectFactoryWrappers.TbQsarWrapper.Predict(IWorkBasket target, Nullable`1 confLevel) in LMC.Toolbox.Server.Actions.Qsars.PredictChemicalsByQsarAction.DoWork(IDomainTask myTask) in LMC.Toolbox.Server.Session.ToolboxAction.SafeDoWork()

marcabrus commented 4 years ago

Wrong characters in vega models.txt