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
toInChIKey
- From
InChI
toMol
- From
InChI
toSMILES
- From
InChIKey
toInChI
- From
InChIKey
toMol
- From
Mol
toInChI
- From
Mol
toInChIKey
- From
SMILES
toInChI