tooluniverse.tools.ADMETAI_predict_physicochemical_properties 模块

ADMETAI_预测理化性质

预测理化性质(分子量、logP、氢键受体/供体、Lipi…

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

预测理化性质(分子量、logP、氢键受体/供体、Lipi…

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

  • stream_callback (Callable, optional) – 用于流式输出的回调

  • use_cache (bool, default False) – 启用缓存

  • validate (bool, default True) – 验证参数

返回类型:

dict[str, Any]