rxn.chemutils.smiles_randomization.randomize_smiles_unrestricted

rxn.chemutils.smiles_randomization.randomize_smiles_unrestricted(smiles)[source]

Randomize a SMILES string in an unrestricted fashion.

The outputs of this function can be reproduced by setting the seed with random.seed().

Raises

InvalidSmiles – for invalid molecules.

Parameters

smiles (str) – SMILES string to randomize.

Return type

str

Returns

Randomized SMILES string.