Miscellaneous

Data Sources

Get a list of data sources in ChemSpider using the get_datasources() method:

>>> cs.get_datasources()
['Abacipharm', 'Abblis Chemicals', 'Abcam', 'ABI Chemicals', 'Abmole Bioscience', 'ACB Blocks', 'Accela ChemBio', ... ]

Format Conversion

Convert between different molecular representations using the convert() method:

>>> cs.convert('c1ccccc1', 'SMILES', 'InChI')
'InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H'

Allowed conversions:

• From InChI to InChIKey
• From InChI to Mol
• From InChI to SMILES
• From InChIKey to InChI
• From InChIKey to Mol
• From Mol to InChI
• From Mol to InChIKey
• From SMILES to InChI