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Chemical Property Lookup — measured AI agent skill | DecimalAI

Chemical Property Lookup

SkillScore87Maintained

chemical-property-lookup

Compute RDKit-driven molecular properties (MW, logP, TPSA, QED, Lipinski) for a SMILES string to support downstream drug discovery tools.

Securityby FreedomIntelligence

Links this skill to your agents and keeps it current with the author’s updates.

Automatic

Research pack

decimalai skills pull chemical-property-lookup

Get this skill — curl · raw file

curl -fsSL https://app.decimal.ai/s/chemical-property-lookup/SKILL.md

Raw file: /s/chemical-property-lookup/SKILL.md ↗ · machine-readable summary at /s/chemical-property-lookup.json ↗

In productionGlobal

how this skill behaves on real traffic · last 30 days

No production data for this skill yet — usage numbers appear here once agents start running it.

Anonymized aggregate across every org using this skill — proof from real production use, not a demo.

Does this skill help? · Benchmark: with vs. withoutsign in to run this on your agents

23 test cases from the publisher’s eval.yaml · each run twice on gemini-3.6-flash — with the skill injected, then without · last run 6d ago

Yes — +35% lift-2% tokens0% turns87% of whole cases pass with skill (20/23)

Test case	Without → With	Effect	Δ tokens	Δ turns
case-01	✗→✓	▲ Improved	16%	0%
case-02	✗→✓	▲ Improved	1%	0%
case-03	✗→✓	▲ Improved	75%	0%
case-05	✗→✓	▲ Improved	-2%	0%
case-07	✗→✓	▲ Improved	-26%	0%

Showing 5 of 23 cases

SkillSafety

✓ 3 of 3 passed

Code scan15 of 15 checks clean

0 critical · 0 warning · 0 info — scanner v4 — 8/1/2026

live_secretremote_code_executionreverse_shelldata_exfiltrationssrf_metadataagent_snoopinganti_refusaldestructive_commandsobfuscated_unicodeunicode_homoglyphopaque_blobsuspicious_urltool_overreachtrigger_abuseprompt_injection_phrasing

IntentSafe

LLM judge · does the skill do what it claims

ContentClean

LLM judge · policy & harmful-content review

Source

Imported

FreedomIntelligence / OpenClaw-Medical-Skills

skills/chemical-property-lookup/SKILL.md

View on GitHub ↗

Imported 8/1/2026Version v2

Skill contents

SKILL.md

<!--

COPYRIGHT NOTICE

This file is part of the "Universal Biomedical Skills" project.

Copyright (c) 2026 MD BABU MIA, PhD <md.babu.mia@mssm.edu>

All Rights Reserved.

#

This code is proprietary and confidential.

Unauthorized copying of this file, via any medium is strictly prohibited.

#

Provenance: Authenticated by MD BABU MIA

-->

At-a-Glance

description (10-20 chars): RDKit stats
keywords: SMILES, RDKit, Lipinski, QED, ADMET
measurable_outcome: Return a validated property summary (JSON + Lipinski verdict) for each SMILES within 60 seconds of request.

Workflow

Validate SMILES input; raise explicit errors for invalid syntax.
Call helpers from molecular_tools.py (summarize_properties, check_lipinski, etc.).
Report MW, logP, TPSA, HBD/HBA, QED, and Lipinski pass/fail with violations.
Surface any calculation warnings (e.g., aromaticity perception issues).

Guardrails

Never infer stereochemistry; report as "not provided".
Log invalid SMILES for manual follow-up.
Communicate that results are screening heuristics, not definitive ADMET outcomes.

References

README.md plus molecular_tools.py for function signatures and dependencies.

Want to see if chemical-property-lookup would activate on your phrasing? Try it before you install — no LLM call, no signup.

Other measured skills in the registry, with their headline benchmark lift.