EPA Computational Toxicology MCP. Analyze chemical properties and hazard data from the EPA.
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EPA Computational Toxicology. Access the US EPA's CompTox dashboard data to search, analyze, and predict chemical safety and properties. Find hazard summaries, physicochemical data, environmental fate, and predicted exposure levels for any substance.
Use your agent to analyze chemical identity, identify synonyms, and screen for bioactivity.
What your AI agents can do
Get bioactivity summary
Pulls a summary of high-throughput screening results from ToxCast/Tox21 assays.
Get chemical details
Retrieves metadata and identification details for a chemical using its DTXSID.
Get chemical lists
Identifies which regulatory, research, or commercial chemical lists a substance belongs to.
Search the database for a chemical using its name, CASRN, or DTXSID, and retrieve its core metadata.
Pull toxicity values and hazard assessment summaries from ToxValDB to gauge potential risks.
Get predicted or measured physical properties (like boiling point, logP, and solubility) for a substance.
Determine how a chemical moves through the environment, including its persistence and transport metrics.
Calculate predicted exposure levels and common product use categories using ExpoCast/CPDat.
Analyze high-throughput screening data (ToxCast/Tox21) to see how a chemical interacts with biological systems.
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EPA Computational Toxicology MCP Server: 10 Tools for Chemical Data Retrieval
These 10 tools allow your agent to perform deep, structured queries across the US EPA's massive chemical data repository, covering identity, properties, and risk.
019d8434get bioactivity summary
Pulls a summary of high-throughput screening results from ToxCast/Tox21 assays.
019d8434get chemical details
Retrieves metadata and identification details for a chemical using its DTXSID.
019d8434get chemical lists
Identifies which regulatory, research, or commercial chemical lists a substance belongs to.
019d8434get chemical synonyms
Retrieves all known synonyms and alternative names for a specific chemical.
019d8434get exposure summary
Gathers predicted exposure levels and common product use data (ExpoCast/CPDat).
019d8434get fate and transport
Provides environmental fate and transport data like half-life and bioconcentration.
019d8434get hazard summary
Pulls a summary of toxicity values and hazard assessment data from ToxValDB.
019d8434get physicochemical properties
Gets predicted and measured properties like melting point, logP, and water solubility.
019d8434search chemical by casrn
Searches for chemicals using their unique CAS Registry Number (CASRN).
019d8434search chemical by name
Searches for chemicals using common, IUPAC, or synonym names in the EPA CompTox database.
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What you can do with this MCP connector
This server lets your agent search, analyze, and predict chemical safety and properties using the US EPA's CompTox data. You can find hazard summaries, physicochemical data, environmental fate, and predicted exposure levels for any substance. You'll use it to analyze chemical identity, identify synonyms, and screen for bioactivity.
To start, you can search for a chemical using its name, CASRN, or DTXSID, and then get its core metadata. You can also pull a summary of high-throughput screening results from ToxCast/Tox21 assays. You'll find out which regulatory, research, or commercial chemical lists a substance belongs to.
You can assess chemical hazards by pulling toxicity values and hazard assessment summaries from ToxValDB. You'll also get predicted or measured physical properties, like melting point, logP, and water solubility. You'll determine how a chemical moves through the environment, including its persistence and transport metrics. You can calculate predicted exposure levels and common product use categories using ExpoCast/CPDat. You'll use this data to screen for bioactivity.
Your agent can search the database for a chemical using its CASRN or name. It can also get the chemical's identification details using its DTXSID. You can pull all known synonyms and alternative names for a specific chemical.
How EPA Computational Toxicology MCP Works
- 1 Subscribe to the EPA CompTox server and provide your EPA API Key.
- 2 Prompt your agent with the chemical name or CASRN you need to analyze.
- 3 The agent calls the necessary tool(s) to pull the specific data (e.g., hazard summary or physicochemical properties) and returns the structured data.
The bottom line is that your agent handles the complex API calls, so you just talk to it.
Who Is EPA Computational Toxicology MCP For?
Toxicologists and environmental scientists need this. If you deal with chemical risk, you need this. It saves you from spending hours cross-referencing data across multiple, disconnected government dashboards.
You use this to gather hazard and bioactivity data for risk assessments, quickly cross-referencing endpoints from multiple data sources.
You use this to analyze how contaminants behave in the environment, checking for persistence, transport, and fate metrics.
You use this to check chemical exposure profiles and product use data when ensuring a product meets regulatory standards.
What Changes When You Connect
- Hazard Assessment: Get immediate toxicity data. Instead of manually cross-referencing multiple databases for endpoints, the
get_hazard_summarytool pulls toxicity values and hazard assessments directly from ToxValDB. - Environmental Modeling: Understand how chemicals move. The
get_fate_and_transporttool gives you environmental metrics like persistence and bioconcentration, so you know where the contaminant will go. - Identity Resolution: Stop guessing names. Use
get_chemical_synonymsto find every known alternative name for a substance, ensuring you search under every possible identifier. - Exposure Tracking: Pinpoint usage risk. The
get_exposure_summarytool predicts exposure levels and lists common product categories, linking chemicals to real-world use. - Physical Data: Get hard numbers fast. The
get_physicochemical_propertiestool provides predicted and experimental values—things like melting point and logP—without leaving your chat window. - Bioactivity Screening: Test for biological impact. The
get_bioactivity_summarytool analyzes high-throughput screening results, letting you check a chemical's potential interaction with biological systems.
Real-World Use Cases
Checking a Suspect Chemical for Regulatory Compliance
A product safety team needs to validate a chemical they found in a component. They first use search_chemical_by_name to get the ID. Next, they run get_physicochemical_properties to check solubility, and finally, they run get_chemical_lists to see if it's restricted by any regulatory body.
Assessing a New Contaminant's Environmental Impact
An environmental scientist finds an unknown pollutant. They use search_chemical_by_casrn to identify it, then run get_fate_and_transport to determine its half-life. They follow up with get_hazard_summary to see if it poses an acute risk.
Comparing Toxins for a Research Paper
A toxicologist needs to compare two compounds. They use get_bioactivity_summary on both to see their ToxCast/Tox21 results. Then, they run get_chemical_details to gather the full metadata for comparison, building a comprehensive profile.
Mapping Product Use and Risk
A product safety team is checking a chemical used in food packaging. They run get_exposure_summary to get the predicted geometric mean intake. This, combined with get_chemical_synonyms, ensures they cover all product formulations.
The Tradeoffs
Searching by only one identifier
Typing only the common name, but the API only returns limited data because the chemical also goes by a CASRN or IUPAC name.
→
Always start by trying search_chemical_by_name and search_chemical_by_casrn. If you get an ID, use get_chemical_details with that ID to ensure you pull all related data points.
Assuming one tool covers everything
Using get_physicochemical_properties and thinking you have all the necessary safety data, ignoring environmental concerns.
→
Remember that properties are only half the story. You must follow up with get_hazard_summary and get_fate_and_transport to build a full risk profile.
Skipping synonym checks
Running an analysis on 'Bisphenol A' and missing data because the chemical is also known by its CASRN or other trade names.
→
Always run get_chemical_synonyms early in your process. This guarantees your agent searches across every known name for the compound.
When It Fits, When It Doesn't
Use this server if your job requires systematic chemical safety assessment. You need to cross-reference physical data (e.g., solubility from get_physicochemical_properties) against biological risk (e.g., hazard data from get_hazard_summary) and environmental impact (e.g., fate data from get_fate_and_transport). If you only need a simple search by name, you could use a basic database query tool. But if you need the full regulatory picture—the why and how of a chemical's risk—this is your only option. Don't use this if you are only looking for a quick list of synonyms; run get_chemical_synonyms for that. But if you need to find all known names, run get_chemical_lists to see which regulatory bodies track it.
Independent Platform Disclaimer: Vinkius is an independent platform and is not affiliated with, endorsed by, sponsored by, verified by, or otherwise authorized by US EPA CompTox. All third-party trademarks, logos, and brand names are the property of their respective owners. Their use on this website is strictly for informational purposes to identify service compatibility and interoperability.
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Works with Claude, ChatGPT, Cursor, and more
The Model Context Protocol standardizes how applications expose capabilities to LLMs. Instead of operating in isolation, your AI gains direct access to external platforms, live data, and real-world actions through secure, standardized connections.
This server provides 10 capabilities that interface natively with Claude, ChatGPT, Cursor, and any MCP client. No middleware. No custom integration required.
Available Capabilities
Chemical safety data used to be a nightmare of PDFs and databases.
Before this server, checking a single chemical meant juggling multiple government websites. You’d start at the EPA, then jump to the CDC, maybe check a vendor's sheet, and spend hours copy-pasting numbers between Excel tabs. If you missed one field—say, the logP—your risk assessment was incomplete.
Now, you just talk to your agent. You ask for a full profile on a compound, and it runs the necessary checks—from identifying the compound via `search_chemical_by_name` to getting its `get_physicochemical_properties` and hazard profile—and returns one clean answer.
The EPA Computational Toxicology MCP Server gives you the full picture.
You no longer need to remember which tool handles which property. You tell the agent what you need—'What is the environmental risk for X?'—and it orchestrates the calls to `get_hazard_summary`, `get_fate_and_transport`, and `get_exposure_summary` automatically.
The result is a synthesized report that covers the chemical's life cycle: from its physical makeup to its eventual breakdown in the environment. It's a single source of truth.
Common Questions About EPA Computational Toxicology MCP
How do I search for a chemical using its CASRN with the get_physicochemical_properties tool? +
You don't use the tool directly; you first use search_chemical_by_casrn to find the chemical's ID. Then, you ask your agent for the physicochemical properties, referencing the ID found in the first step.
What is the difference between get_hazard_summary and get_bioactivity_summary? +
The get_hazard_summary tool pulls general toxicity values from ToxValDB. The get_bioactivity_summary tool focuses specifically on high-throughput screening results from ToxCast/Tox21 assays.
Can I find all possible names for a chemical using get_chemical_synonyms? +
Yes. This tool retrieves every known synonym, alternative name, and identifier associated with a specific chemical, making your search comprehensive.
Does the EPA Computational Toxicology MCP Server handle environmental fate data? +
Yes, the get_fate_and_transport tool pulls environmental fate data, including metrics on persistence, transport, and biodegradation rates.
What if I only know the common name, like 'Bisphenol A'? +
+
Start by using search_chemical_by_name. This tool will find the substance and provide the necessary ID to pull all other data, like hazard summaries or exposure data.
How do I check what chemical lists a specific compound belongs to using get_chemical_lists? +
The get_chemical_lists tool identifies which chemical lists—regulatory, research, or commercial—a compound belongs to. This is useful for determining if a chemical is tracked by specific industry standards or government regulations.
What is the purpose of the get_exposure_summary tool, and what data does it return? +
The get_exposure_summary tool retrieves predicted exposure levels and product use data from sources like ExpoCast and CPDat. It helps you understand how a chemical might enter and accumulate in various products and environments.
How do I obtain a free API key for the EPA CTX services? +
You must send an email to ccte_api@epa.gov to request an individual API key. The key is usually issued free of charge for research and professional use.
What is a DTXSID and how is it used? +
DTXSID is the EPA Dashboard Chemical Identifier. It is the primary unique identifier used across all CompTox APIs to ensure precise substance identification.
Are the results returned in real-time from the EPA databases? +
Yes, this agent queries the live CompTox Chemicals Dashboard APIs directly, ensuring you have the most up-to-date scientific data available from the CCTE.
Use it with your favorite AI tools
Connect this server to Cursor, Claude, VS Code, and more.
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