1. Home
  2. Workflows
  3. smiles-identity-idlist

smiles-identity-idlist

Created: 2010-07-16 10:20:48      Last updated: 2010-07-16 10:25:06

Performs a search in PubChem for compounds similar to a given input compound in SMILES notation. This workflow was written by the PubChem team @ the NCBI (http://pubchem.ncbi.nlm.nih.gov/).

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/1433/download?version=1
[ More InfoExpand ]


Information Workflow Components

Information Authors (1)
Information Titles (1)
Information Descriptions (1)
Information Dependencies (0)
Inputs (0)
Processors (14)
Beanshells (1)
Outputs (2)
Datalinks (15)
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 (earliest) (of 2)

View version:

Information Credits (0)

(People/Groups)

None

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

3789 viewings

1744 downloads

[ see breakdown ]

More
 

Citations (0)

None


Version History

In chronological order:

  1. smiles-identity-idlist

    Created by Peter Li on Friday 16 July 2010 10:20:48 (UTC)

    Last edited by Peter Li on Friday 16 July 2010 10:22:08 (UTC)

  2. smiles-identity-idlist

    Created by Peter Li on Friday 16 July 2010 10:22:45 (UTC)

    Last edited by Peter Li on Friday 16 July 2010 10:25:06 (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 (7)

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


Taverna 1
Uploader
Avatar De Michael Gerlich

Workflow Download Entries from PubChem (1)

Thumb
Given a list of identifiers (e.g. CID) and their appropriate type (eID_CID - note that these differ slightly from the original identifier name -> CID <-> eID_CID), this workflow queries PubChem via PUG to retrieve a download URL for the resulting XML file containing the results. Adding support for downloading this XML file and writing it to filesystem is planned.

Created: 2009-03-30 | Last updated: 2009-03-30

Credits: User Michael Gerlich

Taverna 1
Uploader
Avatar De Michael Gerlich

Workflow MassBank to KEGG (1)

Thumb
Workflow that queries MassBank DB to retrieve database identifiers (KEGG, PubChem, InChI) and continue search with them to retrieve pathways from KEGG for given compound identifier,searches PubChem via eutils and PUG, queries ChemSpider for compound information and image. Note: Usage of ChemSpider web services requires a valid security token - receive one by registering at ChemSpider (look at your profile to see your token)

Created: 2009-03-30 | Last updated: 2009-03-30

Credits: User Michael Gerlich

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