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CovaSyn Chemistry Tools

covams_fragment_predict

Predict MS/MS fragmentation spectrum from a SMILES structure.

Input Schema

NameRequiredDescriptionDefault
adductNo[M+H]+
smilesYes
api_keyNo
collision_energyNo

Output Schema

NameRequiredDescriptionDefault
resultYes

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observed

TDQS

C2.7/5.0
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 behavioral burden, and it discloses almost nothing. It does not say the prediction is model-based, how adduct or collision energy affect output, whether an api_key is required for calls to succeed, or any latency/rate behavior.

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 front-loaded sentence with zero filler. It is efficient, though the brevity shades into under-specification rather than tightness.

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?

An output schema exists, so return values need not be described, but with no annotations, 0% parameter coverage, and four parameters, the definition leaves an agent unable to call the tool confidently. Critical context about adduct/energy semantics and API key usage is missing.

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 for four undocumented parameters, yet it addresses only the SMILES input. The significance of adduct ([M+H]+ default), collision_energy (30 default), and api_key is left entirely unexplained.

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 (Predict) and resource (MS/MS fragmentation spectrum) with the input source (SMILES structure) named. It is clear what the tool does, but it draws no boundary against adjacent siblings such as covams_fragment_annotate or covams_predict_fingerprint, so an agent must infer which fragmentation tool applies.

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 guidance on when to use this tool versus the many neighboring covams_* alternatives, nor any stated prerequisites. The agent gets a capability statement but no context for tool selection.

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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