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Augmented-Nature

Unofficial PubChem MCP Server

search_by_cas_number

Find chemical compounds using their CAS Registry Number to access molecular properties and bioassay data from PubChem.

Instructions

Search for compounds by CAS Registry Number

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
cas_numberYesCAS Registry Number (e.g., 50-78-2)

Implementation Reference

  • The main handler function that executes the logic for the 'search_by_cas_number' tool. Currently implemented as a placeholder.
    private async handleSearchByCasNumber(args: any) {
      return { content: [{ type: 'text', text: JSON.stringify({ message: 'CAS search not yet implemented', args }, null, 2) }] };
    }
  • The input schema definition for the tool, specifying the expected parameters.
    inputSchema: {
      type: 'object',
      properties: {
        cas_number: { type: 'string', description: 'CAS Registry Number (e.g., 50-78-2)' },
      },
      required: ['cas_number'],
    },
  • src/index.ts:417-427 (registration)
    The tool registration in the ListTools response, including name, description, and schema.
    {
      name: 'search_by_cas_number',
      description: 'Search for compounds by CAS Registry Number',
      inputSchema: {
        type: 'object',
        properties: {
          cas_number: { type: 'string', description: 'CAS Registry Number (e.g., 50-78-2)' },
        },
        required: ['cas_number'],
      },
    },
  • src/index.ts:748-749 (registration)
    The switch case in the CallToolRequestSchema handler that dispatches to the tool handler.
    case 'search_by_cas_number':
      return await this.handleSearchByCasNumber(args);
Behavior2/5

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

No annotations are provided, so the description carries the full burden of behavioral disclosure. It states the tool's function but doesn't describe how it behaves—such as whether it returns exact matches only, handles partial CAS numbers, provides error messages for invalid formats, or includes pagination/rate limits. This leaves significant gaps in understanding the tool's operation.

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, clear sentence with no wasted words, making it easy to parse and front-loaded with essential information. It efficiently communicates the tool's core function without unnecessary elaboration.

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?

Given the lack of annotations and output schema, the description is incomplete for a search tool. It doesn't explain what the search returns (e.g., compound details, error handling, or result format), which is critical for an AI agent to use it effectively. The high schema coverage helps with inputs but not outputs or behavioral context.

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?

The input schema has 100% description coverage, with the parameter 'cas_number' clearly documented as 'CAS Registry Number (e.g., 50-78-2)'. The description adds no additional semantic information beyond what the schema provides, so it meets the baseline score of 3 for high schema coverage without compensating value.

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 clearly states the action ('Search for compounds') and the resource ('by CAS Registry Number'), making the purpose immediately understandable. However, it doesn't differentiate from sibling tools like 'search_by_inchi' or 'search_by_smiles' that also search compounds using different identifiers, which prevents a perfect score.

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 guidance on when to use this tool versus alternatives. With many sibling tools available for searching compounds (e.g., 'search_by_inchi', 'search_by_smiles', 'search_compounds'), there is no indication of when CAS number searches are preferred or what distinguishes this tool from others.

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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