inspect_molecule
Validate and canonicalize a SMILES string and report model-domain flags to support auditable thermophysical data curation.
Instructions
Validate and canonicalize a SMILES string and report model-domain flags.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| smiles | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||