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Compare Proteins Topologically (TDA Fingerprint Distance)

compare_proteins_topologically
Read-onlyIdempotent

Compare protein structures by computing pairwise TDA-fingerprint distances to identify topological similarities for drug repurposing and off-target screening.

Instructions

Compare multiple proteins using a TDA-fingerprint distance.

Computes a pairwise distance matrix between the TDA fingerprints of the provided proteins. Distance metric: L2 distance between length-normalised 64-dimensional fingerprint vectors (see _fingerprint_distance). Distance = 0 means identical fingerprints; larger values mean more divergent fingerprints. This is not a Wasserstein distance between persistence diagrams.

Applications: Possible uses (all of which require independent validation before any downstream use):

  • Drug-repurposing triage: proteins with low fingerprint distance may share gross topology.

  • Off-target screening: family members with near-zero distance.

  • Cross-species comparison of the same gene's structure.

None of these are direct functional or sequence-similarity measures.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
paramsYes

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault

No arguments

Behavior4/5

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

Annotations already indicate readOnlyHint and idempotentHint, reducing the burden. The description adds value by explaining the output is a pairwise distance matrix, the metric details, and emphasizing it is not Wasserstein. No contradiction with annotations, and it provides useful behavioral context beyond them.

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 concise (approx. 150 words), well-structured with purpose, metric details, applications, and caveats. Each sentence adds value, front-loaded with the core action. No redundancy or filler.

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?

Given the tool complexity, presence of output schema, and annotations, the description covers purpose, metric, applications, and limitations thoroughly. It provides sufficient context for an agent to decide when to use it and interpret results, without needing to replicate schema or output details.

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% per context, so the description should compensate. It mentions 'provided proteins' but adds no details about uniprot_ids beyond what the schema already states (list of UniProt accessions, 2-10). Without additional format or validation info, it fails to compensate for low schema coverage.

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 explicitly states the tool compares multiple proteins using TDA-fingerprint distance, specifies the distance metric (L2 on 64-dim vectors), and contrasts with Wasserstein distance. It distinguishes from sibling tools like compute_topology_fingerprint by focusing on pairwise comparison. This is specific, with a clear verb and resource.

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 lists applications (drug-repurposing triage, off-target screening, cross-species comparison) and states it is not a functional or sequence-similarity measure, guiding appropriate use. However, it does not explicitly advise against using it for other purposes or compare with specific sibling tools, missing some discrimination.

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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