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InviteWorkflow Entry: CDK Example
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 Version 1
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Version created on:
26/02/09 @ 16:31:22
by:
Paul Dobson
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Title: CDK Example
Type: Taverna 1
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Description
This workflow reads a library from an SD file (change the default value of Read_MDL_SD_File) and identifies those structures that conform to Lipinski's Rule of Five.
It then performs a substructure query, represented as SMILES (change the default value on Parse_SMILES), on the structures that pass Lipinski, and creates PNG images of those structures that contain the substructure.
The image results will be found in your Taverna Data folder.
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Option 1:
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Option 2:
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http://www.myexperiment.org/workflows/664/download?version=1
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[1] - CDK Example
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Linked Data
Non-Information Resource URI: http://www.myexperiment.org/workflows/664
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Copyright © 2007 - 2011 The University of Manchester and University of Southampton
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