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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

TableJSON Schema
NameRequiredDescriptionDefault
initial_moleculeYesSMILES string to search for tautomers
nameNoWorkflow name for identification and trackingTautomer Search Workflow
folder_uuidNoUUID of folder to organize this workflow. Empty string uses default folder
max_creditsNoMaximum credits to spend on this calculation. 0 for no limit
Behavior3/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

With no annotations provided, the description carries the full burden. It discloses that this 'submits' a workflow (implying an asynchronous operation that initiates a calculation), mentions credit spending limits, and describes the purpose ('searches for different tautomeric forms... evaluates their relative stabilities'). However, it doesn't mention authentication requirements, rate limits, whether the workflow can be stopped/canceled, or what happens on failure.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness4/5

Is the description appropriately sized, front-loaded, and free of redundancy?

Well-structured with clear sections (purpose, args, explanation, returns, example). The tautomer explanation sentence is useful but could be more integrated. The example is helpful but adds length. Overall efficient with minimal waste.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness3/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

For a workflow submission tool with 4 parameters, 100% schema coverage, but no annotations and no output schema, the description does an adequate job. It explains the purpose, parameters, and provides an example, but doesn't cover important behavioral aspects like error handling, asynchronous nature, or how to monitor/retrieve results (though sibling tools like 'retrieve_workflow' exist).

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters4/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

Schema description coverage is 100%, so the baseline is 3. The description adds value by grouping parameters in an 'Args:' section with clear explanations, providing an example showing how to use the tool with minimal parameters, and explaining the significance of 'max_credits: 0 for no limit'. However, it doesn't add substantial semantic context beyond what's already in the schema descriptions.

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose5/5

Does the description clearly state what the tool does and how it differs from similar tools?

The description clearly states the specific action ('Submit a tautomer search workflow') and resource ('using Rowan v2 API'), and distinguishes it from siblings by focusing on tautomer search specifically. It explains what tautomers are ('structural isomers that readily interconvert'), which helps differentiate from other molecular analysis tools in the sibling list.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines3/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

The description implies usage through the example (2-Pyridone tautomers) and the explanation of what tautomers are, but doesn't explicitly state when to use this tool versus alternatives like 'submit_conformer_search_workflow' or 'submit_basic_calculation_workflow'. No explicit when-not-to-use guidance or prerequisites are provided.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.

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