| parse {SMILES} | R Documentation |
parse(SMILES,
strict = TRUE);SMILES denotes a molecular structure as a graph with optional chiral indications. This is essentially the two-dimensional picture chemists draw to describe a molecule. SMILES describing only the labeled molecular graph (i.e. atoms and bonds, but no chiral or isotopic information) are known as generic SMILES.
A chemical graph object that could be used for build formula or structure analysis