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http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl
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Category: Workflow Type: Taverna 2 Tag: workflows User: Kalai Licence: by-sa Wsdl: http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl
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2820?size=60x60 Gb Kalai

Workflow Download Structures from PubChem given che... (1)

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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.  

Created: 2011-05-24 | Last updated: 2011-05-24

Credits: User Kalai User Michael Gerlich

Attributions: Workflow Download Entries from PubChem

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Funded by: BioVeL, EPSRC, JISC, Microsoft

Affiliates: myGrid, Taverna, BioCatalogue
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