tooluniverse.admetai_tool module

class tooluniverse.admetai_tool.ADMETAITool[source]

Bases: BaseTool

Tool to predict ADMET properties for a given SMILES string using the admet-ai Python package.

__init__(**kwargs)[source]
run(arguments)[source]

Predicts ADMET properties for a given SMILES string.

Parameters:

smiles – The SMILES string(s) of the molecule(s).

Returns

A dictionary mapping each SMILES string to a subdictionary of selected ADMET properties and their predicted values.