Log in
Register
Give us Feedback
InviteWorkflow Entry: Calculation of molecular descriptors for molecules loaded from database
| Citations (0) | Version History | Reviews (0) | Comments (0) |
 Version 1
(of 1)
|
Version created on:
15/11/08 @ 15:12:06
by:
Thomasku
|
Revision comments 
Title: Calculation of molecular descriptors for molecules loaded from database
Type: Taverna 1
Preview
(Click on the image to get the full size)
Download Scalable Diagram (SVG)
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.
Download
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/563/download?version=1
[ More Info ]
Workflow Components
Workflow Type
Log in to add Tags
Shared with Groups (1)
Current:
0.0 / 5
(0 ratings)
Log in to rate and see breakdown of ratings
Statistics
None
Earliest Version:
[1] - Calculation of molecular descriptors for molecules loaded from database
This Workflow only has one version.
Reviews
(0)
Other workflows that use similar services
(0)
There are no workflows in myExperiment that use similar services to this Workflow.
Linked Data
Non-Information Resource URI: http://www.myexperiment.org/workflows/563/versions/1
Alternative Formats
Copyright © 2007 - 2011 The University of Manchester and University of Southampton
No comments yet
Log in to make a comment