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在 OpenClaw 中安装
/install pharmaclaw-tox-agent
功能描述
Toxicology Agent for pharma drug safety profiling from SMILES. Computes RDKit ADMET descriptors (logP, TPSA, MW, HBD, HBA, rotatable bonds), Lipinski Rule of...
安全使用建议
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.
功能分析
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.
能力评估
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.
如何使用
- 确保已安装 OpenClaw（本地或 Docker 部署）
- 在对话框中输入安装命令：
/install pharmaclaw-tox-agent - 安装完成后，直接呼叫该 Skill 的名称或使用
/pharmaclaw-tox-agent触发 - 根据 Skill 的参数说明提供必要输入，即可获得结构化输出
版本历史
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.
元数据
常见问题
Pharmaclaw Tox Agent 是什么？
Toxicology Agent for pharma drug safety profiling from SMILES. Computes RDKit ADMET descriptors (logP, TPSA, MW, HBD, HBA, rotatable bonds), Lipinski Rule of... 它是一个面向 Claude Code / OpenClaw 的 AI Agent Skill 插件，目前累计下载 305 次。
如何安装 Pharmaclaw Tox Agent？
在 OpenClaw 或 Claude Code 对话框中运行命令「/install pharmaclaw-tox-agent」即可一键安装，无需额外配置。
Pharmaclaw Tox Agent 是免费的吗？
是的，Pharmaclaw Tox Agent 完全免费，采用 MIT-0 许可证，可自由下载、安装和使用。
Pharmaclaw Tox Agent 支持哪些平台？
Pharmaclaw Tox Agent 跨平台运行，可在任意部署了 OpenClaw / Claude Code 的环境中使用（cross-platform）。
谁开发了 Pharmaclaw Tox Agent？
由 Cheminem（@cheminem）开发并维护，当前版本 v1.0.0。
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