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glebo309
by glebo309

chemdraw_identify

Read-only

Inspect SMILES or InChI entirely offline to retrieve canonical isomeric SMILES, formula, charge, components, isotope/stereo summaries, and InChI/Key when available.

Instructions

Inspect an explicit SMILES or canonical Standard InChI entirely offline with optional RDKit. Returns canonical isomeric SMILES, formula, charge, components, isotope/stereo summaries and InChI/Key when available. No ChemDraw call, names/CAS resolution, salt stripping or tautomer conversion. Standard InChI normalization and graph-roundtrip differences are explicit.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
valueYes
input_formatNosmiles

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observedv0.9.0

TDQS

A4.7/5.0
Behavior5/5

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

Annotations already mark this as read-only, and the description adds meaningful behavioral context: offline execution, optional RDKit usage, explicit normalization behavior, and the absence of salt stripping or tautomer conversion. This goes well beyond the readOnlyHint and gives the agent a precise model of what will and will not happen.

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 compact and front-loaded: purpose first, then outputs, then explicit exclusions and caveats. Every sentence adds useful information without redundancy.

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

Completeness5/5

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

For a read-only identification tool with no output schema, the description is unusually complete: it defines accepted input forms, lists all return categories, and states important limitations and normalization caveats. An agent has enough information to call it correctly and interpret the result.

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

Parameters4/5

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

With 0% schema description coverage, the description carries the burden of explaining the value parameter, and it does so by specifying 'explicit SMILES or canonical Standard InChI'. It does not explicitly mention the input_format parameter by name, but the enum and default are in the schema and the description clearly implies format selection.

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 opens with a specific verb and resource: 'Inspect an explicit SMILES or canonical Standard InChI' and clearly enumerates the outputs. It also distinguishes itself by explicitly saying what it does not do, such as ChemDraw calls, names/CAS resolution, salt stripping, and tautomer conversion, which sets it apart from sibling tools like chemdraw_resolve.

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 communicates when to use this tool: for offline inspection of explicit structure strings with no external ChemDraw call. It also gives clear exclusions ('No ChemDraw call, names/CAS resolution, salt stripping or tautomer conversion'), but it does not name a specific sibling tool to use for those cases.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.