tooluniverse.tools.ADMETAI_predict_toxicity module

ADMETAI_predict_toxicity

Predicts toxicity endpoints (AMES, Carcinogens_Lagunin, ClinTox, DILI, LD50_Zhu, Skin_Reaction, h…

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

Predicts toxicity endpoints (AMES, Carcinogens_Lagunin, ClinTox, DILI, LD50_Zhu, Skin_Reaction, h…

Parameters:

  • smiles (list[str]) – The list of SMILES strings.

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

  • use_cache (bool, default False) – Enable caching

  • validate (bool, default True) – Validate parameters

Return type:

dict[str, Any]