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')

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