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chem.compound

Look up chemical compounds by CID, name, SMILES, or InChIKey to retrieve structural identifiers and physical properties from PubChem.

Instructions

Look up a chemical compound by cid, name, smiles, or inchikey. Returns canonical structural identifiers + physical properties from NIH PubChem.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
cidNoPubChem Compound ID.
nameNoCommon or IUPAC name.
smilesNoSMILES string.
inchikeyNoInChIKey.
Behavior3/5

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

With no annotations, the description must disclose behavior. It states it returns structural identifiers and physical properties, but does not detail which ones or mention any side effects, authorization needs, or rate limits. This is adequate but leaves some ambiguity.

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 pack all key information—action, identifiers, output summary, source. No redundancy or unnecessary details. Excellent front-loading.

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?

The description is complete for a simple lookup tool but lacks clarification that at least one identifier is required (though implied), what happens if multiple are provided, and a more specific list of returned properties. Without output schema, more detail would help.

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 coverage is 100% with each parameter having a description. The description adds the context of NIH PubChem and the purpose, but does not significantly enhance beyond the schema. Baseline score of 3 is appropriate.

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 specifies the action ('Look up a chemical compound'), the resources (cid, name, smiles, inchikey), and the result (canonical structural identifiers + physical properties from NIH PubChem). It clearly distinguishes the tool from siblings which deal with different domains.

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

Usage Guidelines4/5

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

The description implicitly states when to use (when you need compound info from PubChem) and how to search (by four identifier types). It does not explicitly mention when not to use or provide alternative tools, but the context is sufficient given the sibling list includes many non-chemistry 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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