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CovaSyn Chemistry Tools

covabasic_substructure

Search for a SMARTS substructure pattern in a molecule. Returns match count, atom indices of each hit, and highlighted atoms.

Input Schema

NameRequiredDescriptionDefault
smilesYes
api_keyNo
pattern_smartsYes

Output Schema

NameRequiredDescriptionDefault
resultYes

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observed

TDQS

C2.8/5.0
Behavior2/5

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

With no annotations, the description carries the full burden of behavioral disclosure. It only says the tool returns match count, atom indices, and highlighted atoms; it does not state that this is a read-only operation, whether it requires authentication (though api_key exists), or any side effects or rate limits.

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

Conciseness5/5

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

Two sentences, front-loaded with the core action, and no wasted words. The return value sentence is brief and directly follows the purpose.

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

Completeness2/5

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

An output schema exists, so the return-value description is somewhat redundant. However, the description lacks any parameter documentation beyond loose implied mapping, provides no usage guidelines, and does not address the behavioral aspects expected since annotations are absent. For a 3-parameter tool at 0% schema coverage, this is incomplete.

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

Parameters2/5

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

Schema description coverage is 0%, so the description must explain the three parameters. It loosely maps 'molecule' to the smiles parameter and 'SMARTS substructure pattern' to pattern_smarts, but gives no format details and completely omits the api_key parameter. It does not sufficiently compensate for the missing schema documentation.

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

Purpose4/5

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

Clearly states a specific verb and resource: 'Search for a SMARTS substructure pattern in a molecule.' An agent can understand the core action without opening the schema. However, it does not differentiate this tool from siblings like covabasic_functional_groups or covabasic_similarity, so it falls short of a 5.

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

Usage Guidelines2/5

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

The description provides no when-to-use guidance, no alternatives, and no prerequisites. It merely states what the tool does, leaving the agent to infer that this is the substructure-search option among many covabasic tools.

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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