# Send Pharmaclaw Pharmacology Agent to your agent
Hand the extracted package to your coding agent with a concrete install brief instead of figuring it out manually.
## Fast path
- Download the package from Yavira.
- Extract it into a folder your agent can access.
- Paste one of the prompts below and point your agent at the extracted folder.
## Suggested prompts
### New install

```text
I downloaded a skill package from Yavira. Read SKILL.md from the extracted folder and install it by following the included instructions. Tell me what you changed and call out any manual steps you could not complete.
```
### Upgrade existing

```text
I downloaded an updated skill package from Yavira. Read SKILL.md from the extracted folder, compare it with my current installation, and upgrade it while preserving any custom configuration unless the package docs explicitly say otherwise. Summarize what changed and any follow-up checks I should run.
```
## Machine-readable fields
```json
{
  "schemaVersion": "1.0",
  "item": {
    "slug": "pharma-pharmacology-agent",
    "name": "Pharmaclaw Pharmacology Agent",
    "source": "tencent",
    "type": "skill",
    "category": "AI 智能",
    "sourceUrl": "https://clawhub.ai/Cheminem/pharma-pharmacology-agent",
    "canonicalUrl": "https://clawhub.ai/Cheminem/pharma-pharmacology-agent",
    "targetPlatform": "OpenClaw"
  },
  "install": {
    "downloadUrl": "/downloads/pharma-pharmacology-agent",
    "sourceDownloadUrl": "https://wry-manatee-359.convex.site/api/v1/download?slug=pharma-pharmacology-agent",
    "sourcePlatform": "tencent",
    "targetPlatform": "OpenClaw",
    "packageFormat": "ZIP package",
    "primaryDoc": "SKILL.md",
    "includedAssets": [
      "scripts/chain_entry.py",
      "references/api_reference.md",
      "SKILL.md"
    ],
    "downloadMode": "redirect",
    "sourceHealth": {
      "source": "tencent",
      "slug": "pharma-pharmacology-agent",
      "status": "healthy",
      "reason": "direct_download_ok",
      "recommendedAction": "download",
      "checkedAt": "2026-05-03T03:15:51.754Z",
      "expiresAt": "2026-05-10T03:15:51.754Z",
      "httpStatus": 200,
      "finalUrl": "https://wry-manatee-359.convex.site/api/v1/download?slug=pharma-pharmacology-agent",
      "contentType": "application/zip",
      "probeMethod": "head",
      "details": {
        "probeUrl": "https://wry-manatee-359.convex.site/api/v1/download?slug=pharma-pharmacology-agent",
        "contentDisposition": "attachment; filename=\"pharma-pharmacology-agent-1.1.0.zip\"",
        "redirectLocation": null,
        "bodySnippet": null,
        "slug": "pharma-pharmacology-agent"
      },
      "scope": "item",
      "summary": "Item download looks usable.",
      "detail": "Yavira can redirect you to the upstream package for this item.",
      "primaryActionLabel": "Download for OpenClaw",
      "primaryActionHref": "/downloads/pharma-pharmacology-agent"
    },
    "validation": {
      "installChecklist": [
        "Use the Yavira download entry.",
        "Review SKILL.md after the package is downloaded.",
        "Confirm the extracted package contains the expected setup assets."
      ],
      "postInstallChecks": [
        "Confirm the extracted package includes the expected docs or setup files.",
        "Validate the skill or prompts are available in your target agent workspace.",
        "Capture any manual follow-up steps the agent could not complete."
      ]
    }
  },
  "links": {
    "detailUrl": "https://openagent3.xyz/skills/pharma-pharmacology-agent",
    "downloadUrl": "https://openagent3.xyz/downloads/pharma-pharmacology-agent",
    "agentUrl": "https://openagent3.xyz/skills/pharma-pharmacology-agent/agent",
    "manifestUrl": "https://openagent3.xyz/skills/pharma-pharmacology-agent/agent.json",
    "briefUrl": "https://openagent3.xyz/skills/pharma-pharmacology-agent/agent.md"
  }
}
```
## Documentation

### Overview

Predictive pharmacology profiling for drug candidates using RDKit descriptors and validated rule-based heuristics. Provides comprehensive ADME assessment, drug-likeness scoring, and risk flagging — all from a SMILES string.

Key capabilities:

Drug-likeness: Lipinski Rule of Five, Veber oral bioavailability rules
Scores: QED (Quantitative Estimate of Drug-likeness), SA Score (Synthetic Accessibility)
ADME predictions: BBB permeability, aqueous solubility (ESOL), GI absorption (Egan), CYP3A4 inhibition risk, P-glycoprotein substrate, plasma protein binding
Safety: PAINS (Pan-Assay Interference) filter alerts
Risk assessment: Automated flagging of pharmacological concerns
Standard chain output: JSON schema compatible with all downstream agents

### Quick Start

# Profile a molecule from SMILES
exec python scripts/chain_entry.py --input-json '{"smiles": "CC(=O)Oc1ccccc1C(=O)O", "context": "user"}'

# Chain from chemistry-query output
exec python scripts/chain_entry.py --input-json '{"smiles": "<canonical_smiles>", "context": "from_chemistry"}'

### scripts/chain_entry.py

Main entry point. Accepts JSON with smiles field, returns full pharmacology profile.

Input:

{"smiles": "CN1C=NC2=C1C(=O)N(C(=O)N2C)C", "context": "user"}

Output schema:

{
  "agent": "pharma-pharmacology",
  "version": "1.1.0",
  "smiles": "<canonical>",
  "status": "success|error",
  "report": {
    "descriptors": {"mw": 194.08, "logp": -1.03, "tpsa": 61.82, "hbd": 0, "hba": 6, "rotb": 0, "arom_rings": 2, "heavy_atoms": 14, "mr": 51.2},
    "lipinski": {"pass": true, "violations": 0, "details": {...}},
    "veber": {"pass": true, "tpsa": {...}, "rotatable_bonds": {...}},
    "qed": 0.5385,
    "sa_score": 2.3,
    "adme": {
      "bbb": {"prediction": "moderate", "confidence": "medium", "rationale": "..."},
      "solubility": {"logS_estimate": -1.87, "class": "high", "rationale": "..."},
      "gi_absorption": {"prediction": "high", "rationale": "..."},
      "cyp3a4_inhibition": {"risk": "low", "rationale": "..."},
      "pgp_substrate": {"prediction": "unlikely", "rationale": "..."},
      "plasma_protein_binding": {"prediction": "moderate-low", "rationale": "..."}
    },
    "pains": {"alert": false}
  },
  "risks": [],
  "recommend_next": ["toxicology", "ip-expansion"],
  "confidence": 0.85,
  "warnings": [],
  "timestamp": "ISO8601"
}

### ADME Prediction Rules

PropertyMethodThresholdsBBB permeabilityClark's rules (TPSA/logP)TPSA<60+logP 1-3 = high; TPSA<90 = moderateSolubilityESOL approximationlogS > -2 high; > -4 moderate; else lowGI absorptionEgan egg modellogP<5.6 and TPSA<131.6 = highCYP3A4 inhibitionRule-basedlogP>3 and MW>300 = high riskP-gp substrateRule-basedMW>400 and HBD>2 = likelyPlasma protein bindinglogP correlationlogP>3 = high (>90%)

### Chaining

This agent is designed to receive output from chemistry-query:

chemistry-query (name→SMILES+props) → pharma-pharmacology (ADME profile) → toxicology / ip-expansion

The recommend_next field always includes ["toxicology", "ip-expansion"] for pipeline continuation.

### Tested With

All features verified end-to-end with RDKit 2024.03+:

MoleculeMWlogPLipinskiKey FindingsCaffeine194.08-1.03✅ Pass (0 violations)High solubility, moderate BBB, QED 0.54Aspirin180.041.31✅ Pass (0 violations)Moderate solubility, SA 1.58 (easy), QED 0.55Sotorasib560.234.48✅ Pass (1 violation: MW)Low solubility, CYP3A4 risk, high PPBMetformin129.10-1.03✅ Pass (0 violations)High solubility, low BBB, QED 0.25Invalid SMILES———Graceful JSON errorEmpty input———Graceful JSON error

### Error Handling

Invalid SMILES: Returns status: "error" with descriptive warning
Missing input: Clear error message requesting smiles or name
All errors produce valid JSON (never crashes)

### Resources

references/api_reference.md — API and methodology references

### Changelog

v1.1.0 (2026-02-14)

Initial production release with full ADME profiling
Lipinski, Veber, QED, SA Score, PAINS
BBB, solubility, GI absorption, CYP3A4, P-gp, PPB predictions
Automated risk assessment
Standard chain output schema
Comprehensive error handling
End-to-end tested with diverse molecules
## Trust
- Source: tencent
- Verification: Indexed source record
- Publisher: Cheminem
- Version: 1.1.0
## Source health
- Status: healthy
- Item download looks usable.
- Yavira can redirect you to the upstream package for this item.
- Health scope: item
- Reason: direct_download_ok
- Checked at: 2026-05-03T03:15:51.754Z
- Expires at: 2026-05-10T03:15:51.754Z
- Recommended action: Download for OpenClaw
## Links
- [Detail page](https://openagent3.xyz/skills/pharma-pharmacology-agent)
- [Send to Agent page](https://openagent3.xyz/skills/pharma-pharmacology-agent/agent)
- [JSON manifest](https://openagent3.xyz/skills/pharma-pharmacology-agent/agent.json)
- [Markdown brief](https://openagent3.xyz/skills/pharma-pharmacology-agent/agent.md)
- [Download page](https://openagent3.xyz/downloads/pharma-pharmacology-agent)