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Workflow Entry: Calculation of molecular descriptors for molecules loaded from database
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 Version 1
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Version created on:
15/11/08 @ 15:12:06
by:
Thomasku
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Title: Calculation of molecular descriptors for molecules loaded from database
Type: Taverna 1
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Description
This workflow loads iteratively molecules from a database. For each molecule the atom typse are perceived before the hydrogens are added and the aromaticity is detected. Than the QSAR worker calculates the selected descriptors. The result of this calculation is stored in database table.
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Option 1:
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Option 2:
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http://www.myexperiment.org/workflows/563/download?version=1
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Workflow Components
All versions of this Workflow are licensed under the Creative Commons Attribution-Share Alike 3.0 License.
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Earliest Version:
[1] - Calculation of molecular descriptors for molecules loaded from database
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Copyright (c) 2007 - 2008 The University of Manchester and University of Southampton
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