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Python API Limitations

This is a prerelease version of the Chemaxon Python API, which is not intended for production usage.

Known limitations

  • Only python 3.12, 3.13 and 3.14 are tested and supported.
  • The following Chemical Terms functions are tested (for now): atomCount(), atomCount(<atomNumber>), mass(), formula(), ringAtomCount(), fsp3().
    Other Chemical Terms functions might work as well, but their operation has not been examined.
  • We only support the following molecule formats (for now): smiles, cxsmiles, smarts, MOL V2000, MOL V3000, mrv, cxon, name.
  • Molecule objects are partly immutable. Only their properties can be changed, but not their structure.

This means that you cannot add or remove atoms and bonds from a molecule, but you can change the properties attached to the Molecule object.

Further information