1. Home

All content

Search filter terms
Filter by category
Filter by type
Taverna 2
16
Filter by tag
Filter by user
Filter by licence
by-sa
16
Filter by wsdl
http://www.chemspider.com/InChI.asmx?WSDL
16
Results per page:
Sort by:
Showing 16 results. Use the filters on the left and the search box below to refine the results.
Type: Taverna 2 Licence: by-sa Wsdl: http://www.chemspider.com/InChI.asmx?WSDL
Remove all filters
Taverna 2
Uploader
Avatar Michael Smith

Workflow Text-mining using OSCAR to obtain a list o... (1)

Thumb
This service extracts chemical names from text and obtains identifiers for these names. It outputs a HTML string that can be opened in a browser providing a table of information and links to ChemSpider.Known issues - Character limit ~3000 - Unable to produce InChIs or CSID for some names - Error sometimes encountered when a trivial and systematic name for the same compound are used - Some issues with identifiers being recognised but not able to be processedrequires access ...

Created: 2013-04-18

Credits: User Michael Smith User Mark Borkum

Attributions: Workflow InChIToCSID

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

Workflow chemspider identifier to MOL format (1)

Thumb
Returns the MOL file for a given compound represented by its chemspider identifier

Created: 2010-07-13

Credits: User Peter Li

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

Workflow SmilesToInchi (1)

Thumb
Convert SMILES to InChI. Result is v1.02s InChI.

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

Credits: User Peter Li

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

Workflow MolToInchiKey (1)

Thumb
Converts a MOL file to an InChIKey. Result is v1.02s InChIKey.

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

Credits: User Peter Li

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

Workflow MolToInchiString (1)

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

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

Credits: User Peter Li

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

Workflow isValidInChiKey (1)

Thumb
Checks that specified argument is valid InChIKey. Works for v1.02b InChIKey only.

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

Credits: User Peter Li

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

Workflow InchiStringToSmiles (1)

Thumb
Converts an inchi string into SMILES format

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

Credits: User Peter Li

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

Workflow InChIStringToMolFile (1)

Thumb
Converts an InChI string into a MOL file using the Inchi ChemSpider web service

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

Credits: User Peter Li

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

Workflow InChIStringToInChiKey (1)

Thumb
Converts an InChI string to an InChi key

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

Credits: User Peter Li

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

Workflow InChIToCSID (1)

Thumb
Convert InChI to ChemSpider ID

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

Credits: User Peter Li

Results per page:
Sort by:
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