rxn.chemutils.tokenization.detokenize_smiles

rxn.chemutils.tokenization.detokenize_smiles(tokenized_smiles)[source]

Detokenize a tokenized SMILES string (that contains spaces between the characters).

Parameters: tokenized_smiles (str) – tokenized SMILES, for instance ‘C C ( C O ) = N >> C C ( C = O ) N’
Return type: str
Returns: SMILES after detokenization, for instance ‘CC(CO)=N>>CC(C=O)N’