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Jean — Molecular Biology & Genomics

scaffold_network

Read-only

The scaffold network (Kruger et al. 2020) of a list of small molecules, as RDKit's CreateScaffoldNetwork builds it, under RDKit's default ring-side cuts or the 46 BRICS bond types (Degen 2008).

Input Schema

NameRequiredDescriptionDefault
rulesNowhich bonds are cut. Values: rings (Ring side of each cut), brics (BRICS, both sides).rings
_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.
moleculesYesthe structures: one SMILES or molfile per entry.

Output Schema

NameRequiredDescriptionDefault
edgesYesevery edge: from and to node indices and its RDKit type
nodesYesevery node: SMILES, the input indices containing it, times made
summaryYesthe network in words, generated from this run

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observed

TDQS

B3.1/5.0
Behavior3/5

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

Annotations already declare readOnlyHint=true, destructiveHint=false, and openWorldHint=false, so safety is covered. The description adds genuine domain context — the underlying RDKit implementation and the two cut rule families — but says nothing about cost, determinism, or scale limits for large molecule lists, which matters here.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness3/5

Is the description appropriately sized, front-loaded, and free of redundancy?

One compact sentence with no filler, and the key resource is front-loaded. However, it is a bare noun phrase rather than an action statement, making the tool's behavior slightly harder to parse at a glance than a verb-led description would be.

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?

An output schema exists, so return values need no explanation, and annotations carry the safety profile. What is left unaddressed is how the _subject and _files project-context parameters interact with the molecules argument, and whether the result is a graph structure rather than a simple list.

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%, so the baseline is 3. The description does add a little to the rules enum by naming the 46 BRICS bond types and citing Degen 2008, but it contributes nothing about molecules, _subject, or _files beyond what the schema text already states.

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?

Names a specific resource (the scaffold network of a list of small molecules) and pins the exact algorithm (RDKit CreateScaffoldNetwork, Kruger et al. 2020), so an agent knows precisely what gets computed. It is a noun phrase with no verb and draws no explicit line against nearby siblings such as cluster_molecules, compare_molecules, or matched_molecular_pairs, which keeps it short of a 5.

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?

There is no when-to-use guidance at all: nothing says when a scaffold network is the right analysis versus clustering or matched-pair comparison, no prerequisites, no exclusions, and no named alternative. The agent must infer the use case from the tool name alone.

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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