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Install in OpenClaw
/install pharmaclaw-tox-agent
Description
Toxicology Agent for pharma drug safety profiling from SMILES. Computes RDKit ADMET descriptors (logP, TPSA, MW, HBD, HBA, rotatable bonds), Lipinski Rule of...
Usage Guidance
This skill appears internally consistent and implements what it claims: a small RDKit-based SMILES toxicology profiler. Before installing/running: (1) ensure RDKit (rdkit-pypi or a proper RDKit build) is available in an isolated environment — RDKit often requires compiled binaries; (2) be aware PAINS checking is a simplified/mock subset (SKILL.md notes this limitation), and the reported risk label is coarse ('Low' vs 'Medium/High'); (3) no network calls or secret access are present in the code, so there is no obvious exfiltration risk, but verify you run it in a controlled environment and review dependencies you install. If you need production-grade PAINS/QSAR/hERG or mutagenicity predictions, plan to replace the simplified implementations with validated models and a complete PAINS catalog.
Capability Analysis
Type: OpenClaw Skill
Name: pharmaclaw-tox-agent
Version: 1.0.0
The skill bundle provides a toxicology analysis tool using the RDKit library to calculate drug-likeness and safety descriptors (Lipinski, Veber, QED, PAINS) from SMILES strings. The implementation in scripts/tox_agent.py is straightforward, lacks any network or file system access, and aligns perfectly with the documentation in SKILL.md.
Capability Assessment
Purpose & Capability
Name/description match the implementation: the SKILL.md and scripts/tox_agent.py perform RDKit descriptor calculations, Lipinski/Veber checks, QED, and simplified PAINS matching. Declared dependency (rdkit-pypi) is appropriate for the stated functionality and no unrelated credentials or binaries are requested.
Instruction Scope
The runtime instructions are narrowly scoped: run the provided Python script with a SMILES string. The SKILL.md does not instruct the agent to read unrelated files, access environment secrets, or call external network endpoints. The script only processes the input SMILES and returns a local JSON report.
Install Mechanism
No install spec is provided (instruction-only skill) which is low-risk. However, the declared dependency rdkit-pypi can be non-trivial to install (native/compiled components). The skill does not provide an automated install step—users must ensure RDKit is available in the runtime environment.
Credentials
No environment variables, credentials, or config paths are requested. The operations performed are local molecule analyses and do not require external secrets or system-level access.
Persistence & Privilege
always is false and the skill does not request persistent/system-level privileges. It does not modify other skills or system configuration.
How to Use
- Make sure OpenClaw is installed (local or Docker)
- Run the install command in chat:
/install pharmaclaw-tox-agent - After installation, invoke the skill by name or use
/pharmaclaw-tox-agent - Provide required inputs per the skill's parameter spec and get structured output
Version History
v1.0.0
- Initial release of the pharmaclaw-tox-agent skill for drug safety profiling from SMILES.
- Computes key RDKit ADMET descriptors, evaluates Lipinski and Veber rules, QED drug-likeness score, and PAINS alerts.
- Provides clear risk classification (Low/Medium/High) with a detailed property report.
- Integrates into PharmaClaw pipeline, receiving SMILES from Chemistry Query and supporting IP Expansion for safer analogs.
- Offers a command-line script for easy analysis and supports chain-based workflow integration.
Metadata
Frequently Asked Questions
What is Pharmaclaw Tox Agent?
Toxicology Agent for pharma drug safety profiling from SMILES. Computes RDKit ADMET descriptors (logP, TPSA, MW, HBD, HBA, rotatable bonds), Lipinski Rule of... It is an AI Agent Skill for Claude Code / OpenClaw, with 305 downloads so far.
How do I install Pharmaclaw Tox Agent?
Run "/install pharmaclaw-tox-agent" in the OpenClaw or Claude Code chat to install it in one step — no extra setup required.
Is Pharmaclaw Tox Agent free?
Yes, Pharmaclaw Tox Agent is completely free, licensed under MIT-0. You can download, install and use it at no cost.
Which platforms does Pharmaclaw Tox Agent support?
Pharmaclaw Tox Agent is cross-platform and runs anywhere OpenClaw / Claude Code is available (cross-platform).
Who created Pharmaclaw Tox Agent?
It is built and maintained by Cheminem (@cheminem); the current version is v1.0.0.
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