# EPA Computational Toxicology MCP for AI Agents AI Agent Connect > EPA Computational Toxicology MCP. Access the US EPA's CompTox Chemicals Dashboard to find chemical properties, hazard summaries, and exposure data. It lets your agent pull toxicity values, environmental fate metrics, and bioactivity results directly from federal databases. ## Overview - **Category:** industry-titans - **Price:** Free - **Endpoint:** https://edge.vinkius.com/vk_preview_0ZcTlmQ2vNletyA7rslqEJngY7ar0f5o60efjJSn/ai-agent-connect - **Tags:** toxicology, chemical-data, exposure-assessment, casrn, physicochemical-properties, hazard-summary ## Description This Connector lets you pull data from the US EPA's Center for Computational Toxicology and Exposure (CCTE) database through a simple conversation. You can skip the headache of navigating complex government websites to find chemical properties, hazard summaries, or bioactivity results. It's a direct line to federal data, making it easy to grab melting points, logP, and water solubility for any substance. You can also dig into toxicity values from ToxValDB or see predicted exposure levels from ExpoCast. If you're doing research on how chemicals persist in the environment, you can pull fate and transport metrics like half-life and bioconcentration. It's one of the specialized tools in the Vinkius catalog that turns a few words into a technical data pull, saving you from the usual copy-paste routine. ## Tools ### get_exposure_summary Retrieve predicted exposure levels and product use data from ExpoCast and CPDat. It shows how people actually come into contact with chemicals. ### get_hazard_summary Retrieve a summary of toxicity values and hazard assessment data from ToxValDB. It gives you a clear picture of the risks associated with a chemical. ### get_bioactivity_summary Retrieve a summary of high-throughput screening results from ToxCast/Tox21 assays. This helps you understand how chemicals interact with biological systems. ### get_chemical_details Get metadata and identification details for a specific chemical using its DTXSID. It's the fastest way to get a complete profile on a specific substance. ### get_chemical_lists Identify which chemical lists a chemical belongs to. Use this to check regulatory or commercial status quickly. ### get_chemical_synonyms Retrieve all known synonyms and alternative names for a specific chemical. This ensures you're looking at the right substance across different databases. ### get_fate_and_transport Retrieve environmental fate and transport data like half-life and bioconcentration. This tells you how a chemical moves through and persists in the environment. ### get_physicochemical_properties Retrieve predicted and experimental physicochemical properties like melting point and logP. This is essential for understanding a chemical's basic behavior. ### search_chemical_by_casrn Search for chemicals by their CAS Registry Number. This is the standard way to search for chemicals in regulatory environments. ### search_chemical_by_name Search for chemicals by common, IUPAC, or synonym names. This is perfect when you only have a general name and need official data. ## Prompt Examples **Prompt:** ``` What is the hazard summary for CAS 80-05-7? ``` **Response:** ``` For CAS 80-05-7, the hazard summary indicates concerns for endocrine disruption and reproductive toxicity. The ToxValDB records also list several points-of-departure for developmental endpoints. ``` **Prompt:** ``` Search for the chemical properties of Bisphenol A. ``` **Response:** ``` I've found the details for Bisphenol A (DTXSID7020182). Here are its key properties: * **Melting Point:** 158°C * **Water Solubility:** 120 mg/L * **LogP:** 3.32 ``` **Prompt:** ``` Find predicted exposure data for DTXSID7020182. ``` **Response:** ``` I've retrieved the exposure data for this substance. The predicted geometric mean intake is 1.2e-4 mg/kg-bw/day. It is commonly found in: * Food Packaging * Polymer production ``` ## Capabilities ### Pull toxicity hazard summaries Get official hazard assessments and toxicity values from ToxValDB records. ### Fetch physicochemical properties Retrieve experimental and predicted data like melting points and water solubility. ### Retrieve bioactivity screening results Access high-throughput screening data from ToxCast and Tox21 assays. ### Get environmental fate metrics Look up how chemicals persist and move through the environment using half-life data. ### Search chemicals by CASRN or name Find specific substances using standard identifiers or common names. ## Use Cases ### Rapid Risk Assessment A toxicologist needs to know the hazard levels for 50 different chemicals. They ask their agent to pull get_hazard_summary for each one to build a risk profile. ### Environmental Impact Study An environmental scientist wants to know if a contaminant persists in water. They use get_fate_and_transport to retrieve half-life and bioconcentration metrics. ### Product Safety Check A product safety team needs to see if a specific chemical is commonly used in food packaging. They use get_exposure_summary to pull ExpoCast data. ### Chemical List Cleaning A researcher has a messy list of chemical names and needs to find synonyms and identifiers. They use get_chemical_synonyms and search_chemical_by_name to clean the list. ## Benefits - Stop manual data mining by using get_hazard_summary to pull toxicity values instantly from ToxValDB. - Get accurate environmental data with get_fate_and_transport to see how chemicals persist in the wild. - Speed up your research by pulling synonyms with get_chemical_synonyms to avoid missing data across databases. - Analyze risks faster using get_exposure_summary to see real-world product use categories like food packaging. - Simplify property lookups with get_physicochemical_properties for melting points, solubility, and logP. - Verify chemical identities quickly using search_chemical_by_casrn to ensure you have the correct regulatory data. ## How It Works The bottom line is you get direct access to federal chemical safety data without the manual searching. 1. Get your free EPA API Key by emailing ccte_api@epa.gov. 2. Connect the Connector to your agent using the Vinkius dashboard. 3. Ask your agent for specific chemical data or hazard summaries. ## Frequently Asked Questions **What chemical data can I get with the EPA Computational Toxicology MCP?** You can retrieve chemical properties, hazard summaries, bioactivity screening results, and environmental fate data. It pulls everything from the official US EPA CompTox Chemicals Dashboard. **Can the EPA Computational Toxicology MCP help with risk assessments?** Yes. It allows you to quickly pull toxicity values and hazard summaries from ToxValDB, which are essential for conducting accurate risk assessments. **How do I find a chemical using the EPA Computational Toxicology MCP?** You can ask your agent to search by common name, IUPAC name, or the specific CAS Registry Number. It will return the correct identifiers and data for you. **Does the EPA Computational Toxicology MCP include environmental fate data?** Yes. It provides metrics like half-life and bioconcentration, which help you understand how a chemical moves through and persists in the environment. **Is the data from the EPA Computational Toxicology MCP official?** Yes, this Connector connects directly to the US EPA's Center for Computational Toxicology and Exposure (CCTE) repository, providing high-quality federal data. **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.