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Structural Similarity

structural_similarity
Read-onlyIdempotent

Retrieve similar chemical compounds from PubChem by providing a compound name or SMILES string. Adjust similarity threshold and result count for targeted searches.

Instructions

PubChem-backed structural similarity search from a compound name or SMILES string.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
queryNoCompound name or identifier.
smilesNoCanonical or query SMILES string.
thresholdNoPubChem 2D similarity threshold. Default 90.
max_resultsNoMaximum similar compounds to return. Default 10.
Behavior4/5

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

Annotations already declare readOnlyHint=true and destructiveHint=false, so the safe read-only nature is clear. The description adds that the search is 'PubChem-backed' and uses a threshold, which provides context beyond annotations. However, it does not discuss rate limits, data freshness, or limitations.

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?

The description is a single sentence of 11 words, front-loading the key information ('PubChem-backed structural similarity search'). Every word is meaningful and there is no wasted content.

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

Completeness4/5

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

Given the tool has 4 parameters and no output schema, the description tells what it does and the input types. It is mostly complete for a search tool with rich annotations, though it could hint at the return format (e.g., list of similar compounds with scores).

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

Parameters3/5

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

Schema description coverage is 100%, so the schema already documents all parameters. The description adds minimal extra meaning beyond what the schema provides (e.g., mentioning 'compound name or SMILES string' maps to query and smiles, but the schema already has descriptions). Per rules, baseline is 3 when coverage is high.

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 it performs a 'structural similarity search' using 'PubChem' from 'a compound name or SMILES string'. The verb 'search' and resource 'structural similarity' are specific, and it distinguishes from sibling tools which focus on other bioinformatics tasks.

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 for finding similar compounds but provides no explicit guidance on when to use this tool versus alternatives (e.g., when to use a different search or analysis tool). There is no 'when not to use' or 'see also' mention.

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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