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compound_info

Retrieve basic drug/compound data from PubChem including molecular formula, weight, canonical SMILES, IUPAC name, InChIKey, and CID to support medicinal chemistry and docking preparation.

Instructions

Query compound/drug basic info (PubChem). 查询化合物/药物基本信息:分子式、分子量、规范 SMILES、IUPAC 名、InChIKey 与 CID,for medicinal chemistry and docking prep. 用于药物化学、分子对接前的化合物确认。

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
nameYes
include_synonymsNo

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
resultYes
Behavior3/5

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

With no annotations provided, the description carries the behavioral transparency burden. It does disclose that this is a query/lookup operation against PubChem and enumerates the returned identifiers and properties. However, it does not explain the effect of include_synonyms, possible API limitations, latency, or what happens for invalid or ambiguous compound names.

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?

The description is compact and front-loads the core action and source. The bilingual repetition adds some redundancy, but both sentences earn their place by also adding use-case context; it is not bloated relative to the information it conveys.

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 simple two-parameter lookup with an output schema, the description gives the essential purpose, source, and intended use. However, it lacks parameter-level guidance for include_synonyms, does not mention how this tool differs from chembl_drug_search or unichem_mapping, and does not describe behavior on missing/ambiguous compounds, making it minimally adequate rather than complete.

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 compensate. It clarifies that 'name' refers to a compound/drug name and lists output fields, but it never explains the include_synonyms boolean parameter or how passing it changes the response. This leaves a required parameter reasonably clear but the optional parameter ambiguous.

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?

The description uses a specific verb ('Query') and resource ('compound/drug basic info (PubChem)') and lists concrete fields such as 分子式, 分子量, 规范 SMILES, IUPAC 名, InChIKey and CID. This makes the tool's purpose clear, but it does not explicitly differentiate it from the similar sibling chembl_drug_search beyond naming PubChem as the source.

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 gives clear intended-use context: 'for medicinal chemistry and docking prep' and '用于药物化学、分子对接前的化合物确认'. It does not provide explicit exclusions or alternatives, but the stated use cases are enough to indicate when an agent should reach for this tool.

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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