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admet-prediction

ADMET property prediction for drug candidates. Full pharmacokinetic panel (Caco-2, PPB, clearance, CYP), toxicity (hERG, AMES, DILI), drug-likeness (Lipinski, QED), using RDKit descriptors and TDC models.

62

Quality

75%

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SecuritybySnyk

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tessl review fix ./backend/cli/skills/chemistry/admet-prediction/SKILL.md
SKILL.md
Quality
Evals
Security

Quality

Content

78%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 strong, highly actionable skill body: every workflow is driven by concrete, copy-paste-ready CLI commands with realistic examples, and the interpretation guide adds real value. The two weaknesses are an orphaned bundle reference (references/endpoints_guide.md is never linked from the body, making 400 lines of endpoint detail undiscoverable) and small amounts of generic domain background in the Overview that could be trimmed.

Suggestions

Link references/endpoints_guide.md from the body (e.g., under a '## Endpoint Details' section: 'See [endpoints_guide.md](references/endpoints_guide.md) for clinical significance, thresholds, and limitations per endpoint') so the 409-line reference is discoverable.

Trim the Overview's drug-discovery background ('one of the most critical stages...', 'roughly 40% of clinical trial failures') to one sentence or remove it — Claude already knows why ADMET matters.

Add a light validation checkpoint for batch runs (e.g., 'check the CSV output row count matches the input' or 'confirm all SMILES parse; invalid entries are reported as N/A') to strengthen workflow clarity.

DimensionReasoningScore

Conciseness

The body is dense and mostly earns its tokens (executable commands, a compact threshold table, a script reference table), but the Overview paragraph explains domain background Claude already knows ('ADMET... is one of the most critical stages in the drug discovery pipeline. Poor pharmacokinetic and toxicity properties are responsible for roughly 40% of clinical trial failures'), and workflow #3 is a pointer back to workflow #1 rather than real content. Minor instances of over-explanation that could be trimmed, matching the score-4 anchor; not the 'several padded sections' of score 3.

4 / 5

Actionability

Every workflow gives copy-paste-ready commands with realistic inputs (a real SMILES string, CSV files), flags, output formats, and concrete CLI invocations, plus a threshold table for interpreting results. This matches the score-5 anchor 'fully executable; copy-paste ready code or commands; specific examples cover the common cases'.

5 / 5

Workflow Clarity

The five workflows are clearly sequenced and each is a single unambiguous command with input/output examples, so sequence is not the issue; what's missing are validation checkpoints (e.g., 'verify SMILES parse before batch runs' or checking row counts of CSV output). This matches the score-4 anchor 'clear sequence with most checkpoints present; minor validation gaps' — these are read-only predictions, not destructive or batch-mutating operations, so the hard cap at 3 does not apply.

4 / 5

Progressive Disclosure

The body itself is well organized with clear sections, but the bundle contains a 409-line references/endpoints_guide.md that is never mentioned or linked anywhere in SKILL.md — a substantial reference resource that is completely un-signaled and undiscoverable from the skill. Per the guideline to score against the actual bundle structure, this matches the score-3 anchor 'references present but not clearly signaled', and is not score 4 because navigation to the main reference file is entirely absent, not merely imperfect.

3 / 5

Total

16

/

20

Passed

Description

71%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 highly specific, well-scoped description that comprehensively names endpoints and tooling, but it omits any 'Use when...' trigger clause, which caps its completeness and weakens its discoverability for users who describe their need situationally rather than by endpoint name. Trigger-term coverage is good but could add common synonyms like 'drug discovery', 'solubility', and 'BBB'.

Suggestions

Append an explicit trigger clause, e.g., 'Use when triaging drug candidates, filtering virtual screening hits by ADMET liabilities, or comparing leads against approved-drug ADMET statistics.'

Add a few natural synonyms users would actually say, such as 'drug discovery', 'BBB penetration', 'solubility', and 'PAINS', to broaden trigger-term coverage.

Consider naming the output form (traffic-light classification) so users searching for 'flag toxic compounds' or 'rank compounds by ADMET' match this skill.

DimensionReasoningScore

Specificity

The description enumerates many concrete endpoints across pharmacokinetics ('Caco-2, PPB, clearance, CYP'), toxicity ('hERG, AMES, DILI'), and drug-likeness ('Lipinski, QED'), plus the implementation stack ('using RDKit descriptors and TDC models'). This matches the anchor 'lists multiple specific concrete actions; comprehensive coverage'; there is no vague filler.

5 / 5

Completeness

The 'what' is clear and comprehensive (full endpoint panel with named models), but there is no 'Use when...' clause or equivalent explicit trigger guidance ('for drug candidates' is scope, not a trigger). Per the judging guidelines, a missing 'Use when' clause caps completeness at 3.

3 / 5

Trigger Term Quality

Natural terms a medicinal chemist would say are present ('ADMET property prediction', 'drug candidates', 'toxicity', 'hERG', 'AMES', 'Lipinski', 'QED'), but a few common variations are missing (e.g., 'drug discovery', 'BBB', 'solubility', 'PAINS'). Good coverage with a few natural terms missing, matching the score-4 anchor.

4 / 5

Distinctiveness Conflict Risk

ADMET prediction with endpoint names like hERG, AMES, DILI, and QED is a clear, well-defined niche with distinct triggers, but the description sits in the chemistry category and shares implementation terms ('RDKit descriptors', 'TDC') with closely related cheminformatics skills, giving minor overlap risk — matching the 'mostly distinct; minor overlap risk' anchor rather than the minimal-conflict anchor above.

4 / 5

Total

16

/

20

Passed

Validation

87%

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

Validation — 14 / 16 Passed

Validation for skill structure

CriteriaDescriptionResult

metadata_version

'metadata.version' is missing

Warning

frontmatter_unknown_keys

Unknown frontmatter key(s) found; consider removing or moving to metadata

Warning

Total

14

/

16

Passed

Repository
synthetic-sciences/openscience
Reviewed

Table of Contents

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