CtrlK
BlogDocsLog inGet started
Tessl Logo

tooluniverse-small-molecule-discovery

Small molecule identification, characterization, and procurement — PubChem, ChEMBL, BindingDB, ADMET-AI, SwissADME, eMolecules, Enamine. Covers compound name to structure to activity to ADMET properties to commercial sourcing. Use for chemical biology, lead identification, probe selection, and the full small-molecule discovery pipeline.

60

Quality

71%

Does it follow best practices?

Run evals on this skill

Adds up to 20 points to the overall score

View guide

SecuritybySnyk

Low

Low-risk findings worth noting

Fix and improve this skill with Tessl

tessl review fix ./plugins/tooluniverse/skills/tooluniverse-small-molecule-discovery/SKILL.md

The canonical home for this skill is tooluniverse-small-molecule-discovery in mims-harvard/ToolUniverse

SKILL.md
Quality
Evals
Security

Quality

Content

63%Weight 40%Scale 1-5

Reviews the quality of instructions and guidance provided to agents. Good implementation is clear, handles edge cases, and produces reliable results.

The body is highly actionable and well-sequenced for a multi-source lookup pipeline, with concrete tool calls, expected outputs, and unusually good failure/fallback guidance. Its weaknesses are redundancy — two overlapping tool tables, thrice-repeated API caveats, and textbook chemistry explanations — and a monolithic structure that inlines what should be one-level-deep reference files.

Suggestions

Merge the 'Key Tools' and 'Tool Parameter Reference' tables into one table (tool | purpose | required params | notes) and move the full listing into a references/tools.md file, keeping only the ~8 most-used tools inline.

State each tool-reliability caveat once (in the Limitations or Fallback Chains section) instead of repeating the BindingDB, eMolecules, and Enamine caveats across Key Principles, the phase sections, and Limitations.

Cut or compress the 'Domain Reasoning' paragraph and the Lipinski/Veber/lead-like rules list — this is standard chemistry knowledge Claude already has — and replace with one line like 'interpret Ro5 in context of route and target, don't hard-fail on violations'.

DimensionReasoningScore

Conciseness

Much of the body is genuinely novel tool knowledge (params, formats, fallbacks), but there is real padding: the 'Key Tools' and 'Tool Parameter Reference' tables duplicate ~25 tools with the same parameters, the BindingDB/eMolecules/Enamine reliability caveats are repeated three times each, and sections like 'Domain Reasoning' and the Lipinski/Veber/lead-like rules restate textbook chemistry Claude already knows. Not a 2 because the majority of tokens still convey tool-specific facts Claude cannot infer.

3 / 5

Actionability

Concrete invocation patterns with real parameter names, realistic values (cid="5291", threshold=85, pchembl_value__gte=6), expected return values, and full worked patterns (Patterns 1-4) plus a fallback table. Falls short of 5 because the code blocks are call sketches rather than copy-paste executable scripts — there is no runnable Python example despite the 'COMPUTE, DON'T DESCRIBE' directive.

4 / 5

Workflow Clarity

A clearly sequenced six-phase pipeline with an ID-resolution priority list, interpretation table for pChEMBL values, and an explicit fallback-chains table that functions as error recovery (e.g., BindingDB timeout → ChEMBL). Not a 5 because validation checkpoints are largely implicit — no 'confirm CID resolved before proceeding' or verify-then-continue steps — though these are read-only lookups so the destructive/batch cap does not apply.

4 / 5

Progressive Disclosure

The section headers are clear and well-ordered, but the skill is a ~350-line monolith with no bundle files: the ~50-line tool parameter reference, the tool tables, and the common patterns clearly belong in separate reference files per the rubric's own good examples. Structure exists (above the 2 anchor), but content that should be split out is fully inlined and there are no references to signal.

3 / 5

Total

14

/

20

Passed

Description

78%Weight 40%Scale 1-5

Based on the skill's description, can an agent find and select it at the right time? Clear, specific descriptions lead to better discovery.

A strong description: it names the domain, the pipeline stages, the specific data sources, and an explicit 'Use for' clause in third person without fluff. The main improvement space is converting the 'when' contexts into more concrete user-facing trigger phrases and adding a couple of common synonyms (drug-likeness, commercially available).

DimensionReasoningScore

Specificity

"Small molecule identification, characterization, and procurement" names three concrete actions plus an explicit pipeline ("compound name to structure to activity to ADMET properties to commercial sourcing") across seven named resources. Not a 5 because the actions stay at the verb level (e.g., no 'similarity search', 'target prediction', or 'vendor lookup' style concrete operations) with minor coverage gaps.

4 / 5

Completeness

Both parts are explicit: the what ("identification, characterization, and procurement ... Covers compound name to structure to activity to ADMET properties to commercial sourcing") and the when ("Use for chemical biology, lead identification, probe selection, and the full small-molecule discovery pipeline"). The 'when' clause is present but leans on broad field labels rather than the concrete user-utterance triggers of the 5 anchor, and 'the full ... pipeline' is somewhat sweeping.

4 / 5

Trigger Term Quality

Natural phrases like "ADMET properties", "lead identification", "probe selection", and "small-molecule discovery pipeline" are present alongside database names users would mention (PubChem, ChEMBL). A few common user phrasings are missing — e.g., "drug-likeness", "commercially available", "binding affinity" — so it falls just short of the comprehensive-synonym anchor.

4 / 5

Distinctiveness Conflict Risk

It occupies a clear niche (small-molecule discovery) with distinct trigger vocabulary and seven named chemistry-specific resources, so overlap with other skills is minimal — matching the 'clear niche with distinct triggers' anchor.

5 / 5

Total

17

/

20

Passed

Validation

100%

Checks the skill against the spec for correct structure and formatting. All validation checks must pass before discovery and implementation can be scored.

Validation — 16 / 16 Passed

Validation for skill structure

No warnings or errors.

Repository
mims-harvard/ToolUniverse
Reviewed

Table of Contents

Is this your skill?

If you maintain this skill, you can claim it as your own. Once claimed, you can manage eval scenarios, bundle related skills, attach documentation or rules, and ensure cross-agent compatibility.