Get Molecular Weight Distribution From QSAR Vector

Created: 2010-12-15 16:07:59 Last updated: 2011-07-21 18:32:16

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This workflow calculates a molecular weight distribution from given QSAR vector. The QSAR data containing the molecular weight values is read from a CSV file and converted into a QSAR vector. Finally, the Get_molecular_Weight_Distribution_From_QSAR_vector extracts the weight data and saves it as CSV files.

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Inputs (3)

Name	Description
OUT_CSV_1
OUT_CSV_2
IN_CSV

Processors (4)

Name	Type	Description
CSV_File_Writer	taverna
CSV_File_Writer_2	taverna
CSV_To_QSAR_Vector	taverna
Get_Molecular_Weight_Distribution_From_QSAR_Vector	taverna

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Datalinks (6)

Source	Sink
Get_Molecular_Weight_Distribution_From_QSAR_Vector:MW Distribution CSV	CSV_File_Writer:CSV Strings
OUT_CSV_1	CSV_File_Writer:File
Get_Molecular_Weight_Distribution_From_QSAR_Vector:MW Molecule IDS CSV	CSV_File_Writer_2:CSV Strings
OUT_CSV_2	CSV_File_Writer_2:File
IN_CSV	CSV_To_QSAR_Vector:File
CSV_To_QSAR_Vector:Descriptor Vector	Get_Molecular_Weight_Distribution_From_QSAR_Vector:Descriptor Vector

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Information Workflow Type

Taverna 2

Information Uploader

Andreas Truszkowski

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Information Statistics

760 viewings

965 downloads

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Version History

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Get Molecular Weight Distribution From QSAR Vector

Created by Andreas Truszkowski on Wednesday 15 December 2010 16:07:59 (UTC)

Last edited by on Wednesday 15 December 2010 16:08:40 (UTC)
Get Molecular Weight Distribution From QSAR Vector

Created by Andreas Truszkowski on Friday 18 February 2011 11:47:44 (UTC)

Last edited by on Thursday 21 July 2011 18:32:16 (UTC)

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