submit_tautomer_search_workflow
Search for tautomeric forms of a molecule and evaluate their relative stabilities using Rowan's computational chemistry platform.
Instructions
Submit a tautomer search workflow using Rowan v2 API.
Args: initial_molecule: SMILES string to search for tautomers name: Workflow name for identification and tracking folder_uuid: UUID of folder to organize this workflow. Empty string uses default folder. max_credits: Maximum credits to spend on this calculation. 0 for no limit.
Searches for different tautomeric forms of a molecule and evaluates their relative stabilities. Tautomers are structural isomers that readily interconvert.
Returns: Workflow object representing the submitted workflow
Example: # 2-Pyridone tautomers result = submit_tautomer_search_workflow( initial_molecule="O=C1C=CC=CN1", name="2-Pyridone Tautomers" )
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| initial_molecule | Yes | SMILES string to search for tautomers | |
| name | No | Workflow name for identification and tracking | Tautomer Search Workflow |
| folder_uuid | No | UUID of folder to organize this workflow. Empty string uses default folder | |
| max_credits | No | Maximum credits to spend on this calculation. 0 for no limit |