SDF data from pubchem database by entering SID or CID of molecule
Hi All, I want to download the SDF file data for a list of pubchem compounds. I have SID, CID information of all of the molecules. It will be difficult to retrieve the SDF one by one for all of these compounds. Is there any tools/softwares to collect the SDF data by entering these SID or CID? Thank you for suggestion
2 answers
You can use PubChemPy Python wrapper for PUG REST API:
import pubchempy as pcp
pcp.download('SDF', '5090.sdf', 5090, 'cid')
So above code downloads an SDF file for compound with CID 5090.
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