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Items tagged with "pccompound" (3)
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Original Uploader |
Created: 30/03/09 @ 09:26:25 | Last updated: 30/03/09 @ 09:47:00
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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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Original Uploader |
Created: 30/03/09 @ 09:30:32 | Last updated: 30/03/09 @ 09:49:13
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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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Original Uploader |
Created: 24/05/11 @ 13:13:52 | Last updated: 24/05/11 @ 14:19:24
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Attributions:
License: Creative Commons Attribution-Share Alike 3.0 Unported License
This workflow takes the input file containing chemical names and returns a single SDF file of structures. The names are searched against pubchem compounds via e-search.
If the compound name is found an XML file containing PubChem ID is returned.The max return compound_ID is set to 1 which could be increased. If the compound name is not found then no ID is returned.
The pubchem compound_ID is then used to download structures from PubChem.
Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0 Viewed: 39 times | Downloaded: 19 times Tags (26): |
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