similar_drugs
Nearest reference drugs to a SMILES (Tanimoto, Morgan radius 2), each with measured human plasma CL and the CL IVIVE predicted from its measured inputs. Use it to judge how far to trust calc_clhep for this chemotype: if IVIVE missed on the neighbours, expect it to miss here. Returns neighbours only, not a prediction for the query.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| n | No | How many reference drugs to return, nearest first. | |
| smiles | Yes | Structure as SMILES. |