Download Structures from PubChem given che...
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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:
Kalai
Michael Gerlich
Attributions:
Download Entries from PubChem
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