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InviteWorkflow Entry: Topological Substructure Search Workflow
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 Version 1
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Version created on:
06/11/08 @ 16:59:02
by:
Thomasku
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Title: Topological Substructure Search Workflow
Type: Taverna 1
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Description
This workflow performs a topological substructure search. The molecules to be searched are loaded from a MDL SD file. The substructure is loaded from a SMILES (workflow input). The matched molecules are converted to CML and for the molecules which do not contain the substructure the InChI is generated.
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Download Workflow File/Package (SCUFL)
Run
Run this Workflow in the Taverna Workbench...
Option 1:
Launch in TavernaNote: you need to have both the WHIP Launcher and the Taverna myExperiment/WHIP plugin installed on your machine for this to work. See here for information.
Option 2:
Copy and paste this link into File > 'Open workflow location...'
http://www.myexperiment.org/workflows/557/download?version=1
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Workflow Components
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Earliest Version:
[1] - Topological Substructure Search Workflow
This Workflow only has one version.
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Linked Data
Non-Information Resource URI: http://www.myexperiment.org/workflows/557
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