tooluniverse.tools.ADMETAI_predict_physicochemical_properties module¶

ADMETAI_predict_physicochemical_properties

Predicts physicochemical properties (molecular weight, logP, hydrogen bond acceptors/donors, Lipi…

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

Predicts physicochemical properties (molecular weight, logP, hydrogen bond acceptors/donors, Lipi…

Parameters:

smiles (list[str] | str) – SMILES string(s) for the molecule(s). Accepts a single string or list of stri…
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]