predict_inputs
Predict fu,p and fu,inc from a SMILES, with structure-only human CL and Vss as second opinions. Predictions, not measurements; check the applicability verdict.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| smiles | Yes | Structure as SMILES. | |
| assay_type | No | Incubation fu,inc is predicted for: microsomes or hepatocytes. | microsomes |
| concentration | No | Incubation concentration: mg microsomal protein/mL, or 10⁶ hepatocytes/mL. |