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CovaSyn Chemistry Tools

covabasic_analyze

Compute molecular descriptors from SMILES.

scope options:
  "basic"    — 40+ RDKit descriptors (atoms, bonds, rings, scaffolds, HBD/HBA, MW, complexity)
  "extended" — basic + Chi indices, Kier-Hall, Gasteiger charges, flexibility ratio
  "lipophilicity" — LogP, MR, TPSA, LabuteASA surface descriptors
  "mordred"  — 100 Mordred 2D descriptors (autocorrelation, topology, information content)
  "all"      — everything combined

Input Schema

NameRequiredDescriptionDefault
scopeNobasic
smilesYes
api_keyNo

Output Schema

NameRequiredDescriptionDefault
resultYes

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observed

TDQS

C2.9/5.0
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. It does disclose what each scope computes (descriptor families and rough counts), but says nothing about authentication requirements despite an api_key parameter, compute cost, rate limits, or failure behavior on invalid SMILES.

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?

The purpose sentence is front-loaded and the scope enumeration is compact and scannable. Slightly list-heavy, but every line carries distinct information.

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 the main input dimension (scope) is well covered. What is missing is any mention of authentication/API-key handling, which matters for a 3-parameter tool with zero schema descriptions.

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 0%, so the description must compensate. It richly documents the scope parameter (all five options with their contents), which is the one that matters most, but adds nothing about smiles format expectations or the api_key parameter.

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 (compute molecular descriptors) and a specific input (SMILES), which separates it from siblings like covabasic_druglikeness or covabasic_describe_structure. However, it never explicitly names the nearest alternatives or the boundary between them, leaving that inference to the agent.

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 choose this tool over sibling descriptor/profile tools such as covabasic_druglikeness or covabasic_describe_structure. The scope list tells you the options but not the conditions under which any option is preferable, so selection is left entirely to inference.

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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