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jean — Molecular Biology & Genomics

matched_molecular_pairs

Read-only

Matched molecular pairs (Hussain & Rea 2010) in a list of small molecules, as mmpdb finds them: pairs that differ by one change no larger than a heavy-atom limit, grouped by the change as a reaction SMIRKS, most pairs first. Indices are 0-based.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
_filesNoThe project: record references shaped like _subject. Their records become library documents a tool names in sequences/parts/document; a trace or alignment is found by file name.
_subjectNoThe record to act on: exactly one of sequence, accession (+source), sample (an id from list_samples) or file ({name, text} or {name, base64}); record_index picks one record of several.
max_sizeNolargest changed part, in heavy atoms.
moleculesYesthe structures: one SMILES or molfile per entry.

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
summaryYesthe pairs in words, generated from this run
transformationsYeseach change as SMIRKS with its pairs (left, right, shared context)

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observed

TDQS

A3.7/5.0
Behavior4/5

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

Annotations already declare readOnlyHint, destructiveHint=false, and closed-world, so the safety profile is covered. Beyond that the description adds real behavioral detail: output is grouped by the change as a reaction SMIRKS, sorted most pairs first, and indices are 0-based — useful context the annotations do not provide.

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?

A single tightly-packed sentence that front-loads the core concept and appends output-format notes. Every clause carries information, though the density makes it slightly heavy to parse.

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?

An output schema exists, so return values need not be described; the description still adds the ordering and grouping behavior. For a read-only analysis tool with fully documented parameters, this is nearly complete, with the main gap being no routing guidance to sibling tools.

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 four parameters, establishing a baseline of 3. The description adds only a conceptual gloss on the heavy-atom limit and does not expand on parameter formats or values beyond the schema.

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?

States a specific verb+resource ('Matched molecular pairs ... in a list of small molecules') and defines the concept precisely, including the source algorithm (mmpdb) and the citation. It is clear what the tool computes, though it does not explicitly contrast itself with related siblings such as activity_cliffs or decompose_r_groups.

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?

Usage is implied by the description (analyze a molecule list for MMPs), but there is no explicit when-to-use or when-not-to-use guidance and no alternative sibling is named. The agent must infer the call context.

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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