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Items tagged with "compound info + image" (5)
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Original Uploader |
Created: 05/06/08 @ 16:00:38 | Last updated: 16/06/08 @ 11:40:46
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License: Creative Commons Attribution-Share Alike 3.0 Unported License
uses InChI's retrieved from a MassBank peaklist query to get compound information about those compounds via querying ChemSpider for information and displaying those results with image
Rating: 0.0 / 5 (0 ratings) | Versions: 2 | Reviews: 0 | Comments: 0 | Citations: 0 Viewed: 128 times | Downloaded: 62 times Tags (8): |
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Original Uploader |
Created: 30/03/09 @ 09:20:42 | Last updated: 30/03/09 @ 09:34:37
Credits:
License: Creative Commons Attribution-Share Alike 3.0 Unported License
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.
Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0 Viewed: 74 times | Downloaded: 52 times Tags (4): |
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Original Uploader |
Created: 30/03/09 @ 09:24:33 | Last updated: 30/03/09 @ 09:43:07
Credits:
License: Creative Commons Attribution-Share Alike 3.0 Unported License
This workflows queries ChemSpider for compound information and compound images. Note that a Chemspider security token is needed in order to access some of the ChemSpider services (receive one by registering at ChemSpider).
Possible search terms might be InChI codes, ChemSpider identifiers or names.
Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0 Viewed: 51 times | Downloaded: 24 times Tags (6): |
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Original Uploader |
Created: 30/03/09 @ 09:26:25 | Last updated: 30/03/09 @ 09:47:00
Credits:
License: Creative Commons Attribution-Share Alike 3.0 Unported License
This workflow takes in a search term (e.g. InChI) for search in PubChem pccompound database. The result is an xml file containing summary information about the search term and also a compound image and the compound webpage fetched from Pubchem.
Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0 Viewed: 93 times | Downloaded: 47 times Tags (12): |
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Download (v1)
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Original Uploader |
Created: 30/03/09 @ 09:30:32 | Last updated: 30/03/09 @ 09:49:13
Credits:
License: Creative Commons Attribution-Share Alike 3.0 Unported License
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)
Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0 Viewed: 198 times | Downloaded: 0 times Tags (21): |
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