chemaxon.calculations.chemterm

def chemterm(mol: chemaxon.molecule.Molecule, chemterm: str) -> str:

Chemterm function.

Chemaxon's Chemical Terms is a language for adding advanced chemical intelligence to cheminformatics applications.

Chemical Terms provides chemistry and mathematical functions including:

  • property predictions
  • functional group recognition
  • isomer enumeration
  • conformer selection
  • ring and distance based topological functions
  • other electronical, steric and structural functions

Link: https://docs.chemaxon.com/display/docs/chemical-terms_index.md

Parameters

mol : Molecule Input molecule chemterm: str chemterm function

Returns

result : str