tooluniverse.tools.ADMETAI_predict_solubility_lipophilicity_hydration 模块

ADMETAI预测溶解度、脂溶性、水合

预测溶解度、脂溶性和水化终点(溶解度_AqSolDB,脂溶性_As…

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

预测溶解度、脂溶性和水化终点(溶解度_AqSolDB,脂溶性_As…

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]