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Chemical property lookup

Skill BioTender-max/awesome-bio-agent-skills/skills/openclaw/chemical-property-lookup

A curated collection of AI agent skills for biomedical research, covering genomics, proteomics, single-cell analysis, clinical AI, and protein design.From the repository description

Install
npx -y skills add BioTender-max/awesome-bio-agent-skills --skill chemical-property-lookup

Assembled from the repository path, not quoted from the project. Check it against their README if it does not work.

One thing to look at

  • no licenseNo license file was found in the repository. Code published without one is not open source by default, so using it at work is a question for whoever answers licensing questions where you are.

SKILL.md

1.5 KB, 401 tokens by cl100k_base, as published. Nobody here has run it

<!-- # COPYRIGHT NOTICE # This file is part of the "Universal Biomedical Skills" project. # Copyright (c) 2026 MD BABU MIA, PhD <[email protected]> # 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 -->

name: chemical-property-lookup description: Compute RDKit-driven molecular properties (MW, logP, TPSA, QED, Lipinski) for a SMILES string to support downstream drug discovery tools. allowed-tools:

  • read_file
  • run_shell_command

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

  1. Validate SMILES input; raise explicit errors for invalid syntax.
  2. Call helpers from molecular_tools.py (summarize_properties, check_lipinski, etc.).
  3. Report MW, logP, TPSA, HBD/HBA, QED, and Lipinski pass/fail with violations.
  4. 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.
<!-- AUTHOR_SIGNATURE: 9a7f3c2e-MD-BABU-MIA-2026-MSSM-SECURE -->

What ships with it: 2 files

7.3 KB alongside SKILL.md, 1 of them executable

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