1. Home
  2. Workflows
  3. MolToInchiString

MolToInchiString

Created: 2010-07-09 12:01:45      Last updated: 2010-07-09 12:01:47

Converts a MOL file to InChI. Result is v1.02s InChI.

Information Preview

Medium

Download as scalable diagram (SVG)

Information Run

Run this Workflow in the Taverna Workbench...

Option 1:

Copy and paste this link into File > 'Open workflow location...'
http://myexperiment.org/workflows/1398/download?version=1
[ More InfoExpand ]


Information Workflow Components

Information Authors (1)
Information Titles (1)
Information Descriptions (1)
Information Dependencies (0)
Inputs (1)
Processors (3)
Beanshells (0)
Outputs (1)
Datalinks (4)
Coordinations (0)

Information Workflow Type

Taverna 2

Information Uploader

254?size=60x60 Cn Peter Li

Information License

All versions of this Workflow are licensed under:

Information Version 1 (of 1)

Information Credits (1)

(People/Groups)

Information Attributions (0)

(Workflows/Files)

None

Information Tags (3)

Log in to add Tags

Information Shared with Groups (0)

None

Information Featured In Packs (1)

Log in to add to one of your Packs

Information Attributed By (0)

(Workflows/Files)

None

Information Favourited By (0)

No one

Information Statistics

3186 viewings

1596 downloads

[ see breakdown ]

More
 

Citations (0)

None


Version History

In chronological order:

  1. MolToInchiString

    Created by Peter Li on Friday 09 July 2010 12:01:45 (UTC)



Reviews Reviews (0)

No reviews yet

Be the first to review!



Comments Comments (0)

No comments yet

Log in to make a comment




Workflow Other workflows that use similar services (15)

Only the first 2 workflows that use similar services are shown. View all workflows that use these services.


Taverna 2
Uploader
254?size=60x60 Cn Peter Li

Workflow Generate inChi (1)

Thumb
Generates an inChi string for a given chemical represented by its SMILES string, SDF or MOL file using the inchi web service provided by ChemSpider

Created: 2010-07-09 | Last updated: 2010-07-09

Credits: User Peter Li

Taverna 2
Uploader
254?size=60x60 Cn Peter Li

Workflow Generate inChi information (1)

Thumb
Uses the GenerateInchiInfo web service operation from ChemSpider to generate information relating to the InChi string for a given chemical compound

Created: 2010-07-09 | Last updated: 2010-07-09

Credits: User Peter Li

Funded by: BioVeL, EPSRC, JISC, Microsoft

Affiliates: myGrid, Taverna, BioCatalogue
About | Privacy | Publications | Contact / Feedback | Mailing List
Icons: Silk icon set 1.3

Copyright © 2007 – 2018 The University of Manchester and University of Southampton