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Install in OpenClaw
/install pharma-pharmacology-agent
Description
Pharmacology agent for ADME/PK profiling of drug candidates from SMILES. Computes drug-likeness (Lipinski Ro5, Veber rules), QED, SA Score, ADME predictions...
Usage Guidance
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.
Capability Analysis
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.
Capability Assessment
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.
How to Use
- Make sure OpenClaw is installed (local or Docker)
- Run the install command in chat:
/install pharma-pharmacology-agent - After installation, invoke the skill by name or use
/pharma-pharmacology-agent - Provide required inputs per the skill's parameter spec and get structured output
Version History
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
Metadata
Frequently Asked Questions
What is Pharmaclaw Pharmacology Agent?
Pharmacology agent for ADME/PK profiling of drug candidates from SMILES. Computes drug-likeness (Lipinski Ro5, Veber rules), QED, SA Score, ADME predictions... It is an AI Agent Skill for Claude Code / OpenClaw, with 752 downloads so far.
How do I install Pharmaclaw Pharmacology Agent?
Run "/install pharma-pharmacology-agent" in the OpenClaw or Claude Code chat to install it in one step — no extra setup required.
Is Pharmaclaw Pharmacology Agent free?
Yes, Pharmaclaw Pharmacology Agent is completely free (open-source). You can download, install and use it at no cost.
Which platforms does Pharmaclaw Pharmacology Agent support?
Pharmaclaw Pharmacology Agent is cross-platform and runs anywhere OpenClaw / Claude Code is available (cross-platform).
Who created Pharmaclaw Pharmacology Agent?
It is built and maintained by Cheminem (@cheminem); the current version is v1.1.0.
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