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版本数
在 OpenClaw 中安装
/install pharma-pharmacology-agent
功能描述
Pharmacology agent for ADME/PK profiling of drug candidates from SMILES. Computes drug-likeness (Lipinski Ro5, Veber rules), QED, SA Score, ADME predictions...
安全使用建议
This skill appears coherent and implements local, RDKit-based ADME profiling. Before installing or running: (1) ensure RDKit is installed from a trusted source and the runtime environment is isolated (virtualenv/container) so optional imports (SA_Score, PAINS catalog) won't unexpectedly pull or execute untrusted code; (2) verify the script's provenance (source is unknown) if you require supply-chain assurance; (3) supply SMILES locally — the skill does not perform network lookups; (4) if you need automated pipelines, confirm downstream agents (toxicology, ip-expansion) are trusted. Overall the footprint is proportional, but run untrusted code in a controlled environment.
功能分析
Type: OpenClaw Skill
Name: pharma-pharmacology-agent
Version: 1.1.0
The OpenClaw skill bundle for the pharmacology agent is benign. The `SKILL.md` provides clear, non-malicious instructions for the agent to execute the `scripts/chain_entry.py` script. The Python script itself uses standard RDKit libraries for local cheminformatics calculations (molecular descriptors, drug-likeness, ADME predictions, PAINS alerts) and processes JSON input/output without any evidence of data exfiltration, malicious execution, persistence mechanisms, or prompt injection attempts against the agent. There are no external network calls or access to sensitive system resources.
能力评估
Purpose & Capability
Name/description (ADME/PK profiling from SMILES) matches the included script and documentation. The code computes descriptors, rule-based ADME predictions, QED, SA score (if available), and PAINS via RDKit — all consistent with the stated purpose.
Instruction Scope
SKILL.md instructs running scripts/chain_entry.py with a JSON containing a SMILES string; the script consumes that input and returns a JSON report. The instructions and script do not read unrelated files, environment variables, or send data to external endpoints. The only optional behavior hinted at (resolving via PubChem) is documented as 'caller should provide SMILES' and is not implemented as a network call.
Install Mechanism
No install spec is provided (instruction-only with one included script). The script depends on RDKit and optional SA_Score/PAINS modules from RDKit's contrib area; there are no downloads from arbitrary URLs or other high-risk install steps.
Credentials
The skill declares no required environment variables, credentials, or config paths. The script does append RDKit's contrib path to sys.path to try to import sascorer (local dependency) but does not access secrets or unrelated environment variables.
Persistence & Privilege
always is false and the skill does not modify agent/system configuration or request persistent privileges. It only runs standalone computations on supplied SMILES.
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 pharma-pharmacology-agent - 安装完成后，直接呼叫该 Skill 的名称或使用
/pharma-pharmacology-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
v1.1.0
**Pharma Pharmacology Agent v1.1.0**
- Initial production release with comprehensive ADME and drug-likeness profiling from SMILES
- Implements Lipinski Rule of Five, Veber oral bioavailability rules, QED, SA Score, and PAINS filtering
- Predicts BBB permeability, aqueous solubility, GI absorption, CYP3A4 inhibition risk, P-gp substrate likelihood, and plasma protein binding
- Provides automated risk flagging and structured JSON output for seamless chaining
- Robust error handling for invalid or missing inputs
- Validated with multiple example molecules and chemistry-query integration
元数据
常见问题
Pharmaclaw Pharmacology Agent 是什么？
Pharmacology agent for ADME/PK profiling of drug candidates from SMILES. Computes drug-likeness (Lipinski Ro5, Veber rules), QED, SA Score, ADME predictions... 它是一个面向 Claude Code / OpenClaw 的 AI Agent Skill 插件，目前累计下载 752 次。
如何安装 Pharmaclaw Pharmacology Agent？
在 OpenClaw 或 Claude Code 对话框中运行命令「/install pharma-pharmacology-agent」即可一键安装，无需额外配置。
Pharmaclaw Pharmacology Agent 是免费的吗？
是的，Pharmaclaw Pharmacology Agent 完全免费（开源免费），可自由下载、安装和使用。
Pharmaclaw Pharmacology Agent 支持哪些平台？
Pharmaclaw Pharmacology 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 Pharmacology Agent？
由 Cheminem（@cheminem）开发并维护，当前版本 v1.1.0。
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