EPA CompTox MCP Server

Part of ToxMCP Suite -> https://github.com/ToxMCP/toxmcp

Public MCP endpoint for EPA Computational Toxicology (CompTox) evidence federation. Expose chemical identity, hazard, exposure, bioactivity, metadata, screening-prioritization summaries, contract-manifest discovery, and cross-suite handoff builders to any MCP-aware agent (Codex CLI, Gemini CLI, Claude Code, etc.).

Maintainer: Ivo Djidrovski (@senseibelbi)

Contact: Use GitHub Issues for bugs, usage questions, and feature requests; use the in4r.ai contact form for private general inquiries; and report vulnerabilities through GitHub’s private security advisory channel.

[!IMPORTANT] An EPA CompTox API key is required for live chemical data. Request a key using EPA’s official instructions, or email [email protected] for API-key help. After cloning the repository, put the key in .env as CTX_API_KEY; never commit or share it.

Architecture

flowchart LR
  subgraph Clients["Clients and Agents"]
    Codex["Codex CLI / Desktop"]
    Gemini["Gemini CLI"]
    Claude["Claude Code"]
    Scripts["Scripts / notebooks"]
  end

  subgraph API["FastAPI MCP Service"]
    Router["HTTP + WebSocket entrypoints\n/healthz, /readyz, /mcp, /mcp/ws"]
    Registry["Tool registry\ninputSchema + outputSchema"]
    Tools["Tool handlers\nretrieval, validation, handoff"]
  end

  subgraph Evidence["Tier-0 Evidence and Federation Layer"]
    Chemical["Chemical identity"]
    Hazard["Hazard datasets"]
    Exposure["Exposure + HTTK"]
    Bioactivity["Bioactivity + AOP link-outs"]
    Metadata["Model cards + applicability"]
    Prioritization["Screening prioritization\nAED / exposure signals"]
    Manifest["Contract manifest\nresources / tools / schemas"]
    Interop["Portable evidence packs\nAOP / PBPK handoff builders"]
  end

  subgraph Contracts["Contract and Artifact Layer"]
    McpSchemas["MCP response schemas\n/docs/contracts/schemas"]
    Portable["Portable object schemas\n/schemas"]
    Tests["Catalog, schema, and handoff tests"]
  end