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tooluniverse-admet-prediction

Comprehensive ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) profiling for drug candidates. Integrates ADMET-AI predictions, SwissADME drug-likeness, PubChemTox experimental toxicity, ChEMBL clinical data, Lipinski rule-of-five, and CYP interaction data. Use for drug-likeness assessment, BBB penetration, bioavailability, hepatotoxicity prediction, ADME/PK profiling, or screening compound libraries before lab testing.

71

Quality

89%

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SecuritybySnyk

Passed

No findings from the security scan

The canonical home for this skill is tooluniverse-admet-prediction in mims-harvard/ToolUniverse

SKILL.md
Quality
Evals
Security

Quality

Content

85%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.

A highly actionable, well-sequenced ADMET profiling workflow with exact tool invocations, fallbacks, and validation checkpoints throughout. Its main weaknesses are the monolithic single-file layout (no progressive disclosure into reference files) and scattered domain-knowledge recaps that pad the token budget without adding operational value.

Suggestions

Split reference-heavy material into a one-level-deep bundle — e.g., references/toxicity-endpoints.md for the endpoint/interpretation catalogs and references/tdc-notes.md for the TDC oracle and dataset digression — and keep SKILL.md as the phase workflow with clear pointers.

Trim mechanism recaps Claude already knows (hERG/QT prolongation, AMES mutagenicity, CYP prevalence statistics) down to the actionable flag and threshold, per the conciseness anchor pattern.

Delete the duplicated overview sentence ('Comprehensive pharmacokinetic and toxicity profiling integrating AI-based ADMET predictions...') which restates the frontmatter description.

DimensionReasoningScore

Conciseness

The bulk of the body is non-inferable operational detail — exact tool signatures, parameter-type gotchas (list vs. string SMILES), install commands, and quantified verdict thresholds. However, it includes one-liner mechanism recaps Claude already knows (e.g., 'hERG potassium channel inhibition. Causes QT prolongation and fatal cardiac arrhythmia', '~75% of drugs are metabolized by CYP enzymes') and a redundant overview sentence duplicating the frontmatter description — minor over-explanation that could be trimmed, matching the anchor-4 example rather than the mostly-efficient-but-loose anchor 3.

4 / 5

Actionability

Fully executable guidance: exact tool names with call signatures and parameters (`ADMETAI_predict_physicochemical_properties(smiles=["<SMILES>"])`, `PubChemTox_get_toxicity_values(cid=<CID>)`), the install command (`uv pip install 'tooluniverse[ml]'`), explicit per-phase fallbacks, and copy-ready quantified thresholds ('LD50 < 50 mg/kg (FAIL: GHS 1-2)'). It covers the common cases (drug-name input and SMILES input) with concrete branch-specific steps, matching the anchor-5 example.

5 / 5

Workflow Clarity

A 5-phase workflow with an ASCII overview, per-phase goals, numbered steps, fallback loops per tool family, error-discrimination guidance ('Only treat output as a failure if the tool returns an error field or no predictions'), and a mandatory 10-item completeness checklist before reporting. This matches anchor 5 — explicit validation steps, feedback loops for error recovery, and a checklist for a complex process.

5 / 5

Progressive Disclosure

The skill is a single ~310-line SKILL.md with no references/, scripts/, or assets/ directories; everything is inline. Internal sectioning is good, but detailed reference material — the 7-endpoint toxicity catalog, interpretation tables, and the long verified-live TDC-oracle/TDC-dataset digression — is inlined where a one-level-deep references/ file would fit better, matching anchor 3 ('content that should be separate is inline') rather than anchor 4's 'most content appropriately placed' split pattern.

3 / 5

Total

17

/

20

Passed

Description

87%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 that clearly states what the skill does and when to use it, with domain-natural trigger phrases and specific named capabilities. Minor room remains: broadening trigger synonyms (toxicity, hERG, SMILES) and naming the scorecard output to sharpen the what.

DimensionReasoningScore

Specificity

It lists several concrete capabilities ('Integrates ADMET-AI predictions, SwissADME drug-likeness, PubChemTox experimental toxicity, ChEMBL clinical data, Lipinski rule-of-five, and CYP interaction data'), matching the anchor-4 example of several specific actions with minor gaps. It is not a 5 because 'profiling' is the sole action verb — the named items are integrated data sources, and outputs like the pass/warn/fail scorecard go unmentioned.

4 / 5

Completeness

It explicitly answers both questions: what ('Comprehensive ADMET... profiling for drug candidates. Integrates [named tools]') and when ('Use for drug-likeness assessment, BBB penetration, bioavailability, hepatotoxicity prediction, ADME/PK profiling, or screening compound libraries before lab testing'). This matches anchor 5 exactly — clear what and when with concrete trigger phrases.

5 / 5

Trigger Term Quality

Good natural-term coverage: 'drug-likeness assessment, BBB penetration, bioavailability, hepatotoxicity prediction, ADME/PK profiling, screening compound libraries' — phrases users would actually say. A few common variants are missing (e.g., generic 'toxicity prediction', 'hERG', 'SMILES', ' pharmacokinetics' as a standalone keyword), so it fits anchor 4 rather than the comprehensive synonym coverage of anchor 5.

4 / 5

Distinctiveness Conflict Risk

ADMET/drug-likeness profiling of drug candidates is a clear niche with distinct triggers and named data sources (ADMET-AI, SwissADME, PubChemTox, ChEMBL), giving minimal overlap risk with adjacent chemistry or data-analysis skills — anchor 5.

5 / 5

Total

18

/

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

Path

plugins/tooluniverse/skills/tooluniverse-admet-prediction/SKILL.md

Reviewed

Table of Contents

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