Cloud Rowan Descriptors
cloud_rowan_descriptors
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Compute molecular descriptors (electronic, geometric, ADMET-relevant) for a molecule.
Preview. This tool is available but has not yet completed Paramus output verification. Treat results as provisional.
Parameters
| Name | Type | Required | Description |
|---|---|---|---|
smiles |
string | yes | Molecule SMILES |
name |
string | no | Workflow name |
Examples
Caffeine descriptors
Prompt: “Compute molecular descriptors for caffeine.”
Usage notes
- REQUIRES API KEY: rowan_api_key in Paramus settings.
Caffeineclouddescriptorselectronicmolecularrowansmiles