choosing-a-module.md

Choosing a module

A quick guide for first-time users.

If you want the best first run today

• CompTox MCP — the recommended first module for the current stack; requires an EPA CompTox API key (CTX_API_KEY).
  • https://github.com/ToxMCP/comptox-mcp

If you want authoritative toxicology datasets

• CompTox MCP — stable entry point for identity, hazard, exposure, bioactivity, and screening-prioritization workflows.
  • https://github.com/ToxMCP/comptox-mcp

If you want rapid ADMET utilities

• ADMETlab MCP — still useful for quick ADMET-style utility workflows, but no longer the default first-run recommendation in the suite overview because the upstream service can be intermittently unstable.
  • https://github.com/ToxMCP/admetlab-mcp

If you want mechanistic context / pathways

• AOP MCP — federates AOP-Wiki / AOP-DB / CompTox and now extends beyond discovery into scientific review and draft authoring workflows.
  • https://github.com/ToxMCP/aop-mcp

If you want OECD QSAR Toolbox automation

• O-QT MCP — requires access to a running OECD QSAR Toolbox WebAPI instance and is aimed at workflow automation, grouping/read-across dossiers, and report generation.
  • https://github.com/ToxMCP/oqt-mcp

If you want PBPK simulation workflows

• PBPK MCP — requires local runtime setup and covers execution, qualification, verification, and dossier export.
  • https://github.com/ToxMCP/pbpk-mcp

If you want auditable exposure-scenario construction

• Direct-Use Exposure MCP — the public suite module for deterministic external-dose screening, jurisdictional comparison, and PBPK-ready handoff packaging with explicit assumptions, provenance, limitations, and fit-for-purpose guidance.
  • https://github.com/ToxMCP/direct-use-exposure-mcp

If you want environmental fate / concentration screening

• Environmental Fate MCP — the public suite module for bounded environmental release-to-concentration screening, scalar erosion/sediment transport screening, scientific review packets, and downstream concentration handoff packages.
  • https://github.com/ToxMCP/environmental-fate-mcp
  • Current release: https://github.com/ToxMCP/environmental-fate-mcp/releases/tag/v0.5.0

If you want food-mediated dietary exposure screening

• Dietary Exposure MCP - the public screening-only module for food-mediated oral exposure calculations, governed residue and consumption review, and PBPK-ready oral dose handoffs. It is an early 0.x release and does not make final safety, legal, or regulatory decisions.
  • https://github.com/ToxMCP/dietary-exposure-mcp
  • Current release: https://github.com/ToxMCP/dietary-exposure-mcp/releases/tag/v0.1.0

If you want processed epigenomic evidence qualification

• Epigenomics MCP — the public qualification-and-handoff module for processed methylation and region-level feature tables. It profiles data quality, applies explicit context and scientific-boundary rules, and can package qualified evidence for Bioactivity-PoD workflows. It does not process raw sequencing data or make causal, clinical, safety, or regulatory conclusions.
  • https://github.com/ToxMCP/epigenomics-mcp
  • Current release: https://github.com/ToxMCP/epigenomics-mcp/releases/tag/v0.2.1

Coming soon in the stack

• Bioactivity-PoD MCP — coming soon.
  • https://github.com/ToxMCP/bioactivity-pod-mcp