chemaxon.calculations.evaluate

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

Evaluate chemical terms 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
expression: str - chemterm expression

Returns

str - result