tooluniverse.tools.ChEMBL_search_similar_molecules module

ChEMBL_search_similar_molecules

Search for molecules similar to a given SMILES, chembl_id, or compound or drug name, using the Ch…

tooluniverse.tools.ChEMBL_search_similar_molecules.ChEMBL_search_similar_molecules(query, similarity_threshold, max_results, *, stream_callback=None, use_cache=False, validate=True)[source]

Search for molecules similar to a given SMILES, chembl_id, or compound or drug name, using the Ch…

Parameters:

  • query (str) – SMILES string, chembl_id, or compound or drug name. Note: Only small molecule…

  • similarity_threshold (int) – Similarity threshold (0–100).

  • max_results (int) – Maximum number of results to return.

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

  • use_cache (bool, default False) – Enable caching

  • validate (bool, default True) – Validate parameters

Return type:

Any