tooluniverse.tools.PubChem_get_CID_by_SMILES module

PubChem_get_CID_by_SMILES

Retrieve corresponding CID list by SMILES string.

tooluniverse.tools.PubChem_get_CID_by_SMILES.PubChem_get_CID_by_SMILES(smiles, *, stream_callback=None, use_cache=False, validate=True)[source]

Retrieve corresponding CID list by SMILES string.

Parameters:

  • smiles (str) – SMILES expression (e.g., “CC(=O)OC1=CC=CC=C1C(=O)O” corresponds to aspirin).

  • stream_callback (Callable, optional) – Callback for streaming output

  • use_cache (bool, default False) – Enable caching

  • validate (bool, default True) – Validate parameters

Return type:

Any