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medchem

Medicinal chemistry filters for compound triage. Apply drug-likeness rules (Lipinski, Veber, CNS), structural alert catalogs (PAINS, NIBR, ChEMBL), complexity metrics, and the medchem query language for library filtering.

70

Quality

85%

Does it follow best practices?

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SecuritybySnyk

Passed

No findings from the security scan

SKILL.md
Quality
Evals
Security

Quality

Content

87%

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

The body is a lean, highly actionable skill with executable examples and clean one-level-deep references. The main gap is the absence of validation/verification checkpoints in the batch-filtering workflows.

Suggestions

Add a verification step to the workflow patterns, e.g. after writing filtered_compounds.csv, assert the row count and inspect a sample of flagged 'reasons'/'status' columns before declaring success.

Include a brief sanity-check (e.g. expected pass-rate range or a known-good control molecule) so mis-specified filters are caught early in batch runs.

DimensionReasoningScore

Conciseness

Lean and efficient — direct executable code blocks with minimal conceptual padding; no explaining of basic library/programming concepts, and the version note and best-practices sections each earn their tokens.

3 / 3

Actionability

Fully executable, copy-paste-ready code throughout: real imports, concrete function calls, runnable workflow patterns, and a CLI script invocation with exact flags.

3 / 3

Workflow Clarity

Three clearly sequenced workflow patterns are present, but the batch-filtering operations lack explicit validation/verification checkpoints (e.g. confirming output non-empty or sanity-checking pass rates), which caps workflow clarity at 2.

2 / 3

Progressive Disclosure

SKILL.md is an overview with well-signaled one-level-deep references to real, existing files (references/api_guide.md, references/rules_catalog.md, scripts/filter_molecules.py), each described in one line; content is appropriately split.

3 / 3

Total

11

/

12

Passed

Description

82%

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, third-person description with concrete capabilities and natural trigger terms, but it omits an explicit 'Use when...' clause, leaving the activation trigger implicit rather than stated. Specificity and distinctiveness are excellent.

Suggestions

Append an explicit 'Use when...' clause, e.g. 'Use when filtering compound libraries by drug-likeness, structural alerts (PAINS/NIBR), or complexity during hit-to-lead triage.'

Add a few broader natural trigger terms (e.g. 'compound screening', 'flagging toxic/reactive groups') to widen coverage of how users phrase the request.

DimensionReasoningScore

Specificity

Lists multiple concrete actions: 'Apply drug-likeness rules (Lipinski, Veber, CNS)', 'structural alert catalogs (PAINS, NIBR, ChEMBL)', 'complexity metrics', and 'medchem query language'.

3 / 3

Completeness

Clearly answers 'what' with specific actions but lacks an explicit 'Use when...' trigger clause, so 'when' is only implied; the judging guideline caps completeness at 2 without one.

2 / 3

Trigger Term Quality

Uses natural domain terms users actually say — 'drug-likeness', 'Lipinski', 'PAINS', 'compound triage', 'library filtering' — with good coverage of common variations.

3 / 3

Distinctiveness Conflict Risk

Occupies a clear medicinal-chemistry-filtering niche with domain-specific triggers (PAINS, NIBR, Lipinski) unlikely to collide with other skills.

3 / 3

Total

11

/

12

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.

Validation16 / 16 Passed

Validation for skill structure

No warnings or errors.

Repository
K-Dense-AI/scientific-agent-skills
Reviewed

Table of Contents

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