• TOXICITY
  • BIOACTIVITY
  • IDENTIFICATION
  • HUMAN

How to retrieve chemical hazard profiles with your AI

Connect your AI to EPA computational toxicology data. Once connected, your agent handles the database lookups and data extraction for you.

Ask AI about this page

Short answer

How can I get chemical hazard data using AI?

Your AI uses specific EPA database tools to find CAS numbers, toxicity values, and bioactivity summaries. You get direct access to NOAELs and high-throughput screening results through simple chat commands. This breakdown shows what your agent delivers.

Data outcomes

What you get

The specific data points your agent pulls from the EPA.

TOXICITY

Hazard summaries

The AI pulls specific toxicity values and NOAELs. You get a clean summary of the chemical's known hazards.

BIOACTIVITY

Screening results

Your agent retrieves high-throughput screening data. This provides insight into how the chemical interacts with biological targets.

IDENTIFICATION

CASRN mapping

The AI finds the correct chemical identity using CAS numbers. This ensures all subsequent data pulls are accurate.

HUMAN

Expert review

You receive the raw data and summaries. You must still interpret these values for regulatory or safety filings.

The workflow

What your AI does when a query arrives.

The AI acts as a bridge between your chat interface and the EPA databases.

  1. Identify the chemical

    The agent starts by locating the specific substance in the EPA registry using its CAS number.

    search_chemical_by_casrn

  2. Extract hazard data

    Once identified, the AI pulls the relevant toxicity and hazard profiles.

    get_hazard_summary

  3. Retrieve bioactivity

    The agent looks up high-throughput screening results and biological activity data.

    get_bioactivity_summary

  4. Format the report

    The AI organizes the retrieved NOAELs and toxicity values into a readable format for your review.

    get_hazard_summary

Try it

Copy these to start.

Use these prompts to trigger the EPA data tools.

Starting points

Replace the bracketed text with your specific chemical names or CAS numbers.

US EPA CompTox Connector

You're all set. Choose your MCP client and follow the setup instructions.

Connector linkhttps://edge.vinkius.com/vk_preview_0ZcTlmQ2vNletyA7rslqEJngY7ar0f5o60efjJSn/mcp

Claude Desktop

Follow the steps below to connect in seconds.

  1. 1In Claude Desktop, open Settings → Connectors.
  2. 2Click “Add custom connector” and paste the connector link above as the remote MCP server URL.
  3. 3Click Add and start a new chat — US EPA CompTox capabilities are ready to use.
Configuration · claude_desktop_config.jsonCopy
{
  "mcpServers": {
    "epa-computational-toxicology-mcp": {
      "url": "https://edge.vinkius.com/vk_preview_0ZcTlmQ2vNletyA7rslqEJngY7ar0f5o60efjJSn/mcp"
    }
  }
}
Copy into chat04

  • Search for the hazard summary for CAS number [insert number].

  • Get the bioactivity summary for [insert chemical name].

  • Find the toxicity values and NOAELs for [insert CAS number].

  • Summarize the high-throughput screening results for [insert chemical name].

  • Claude
  • ChatGPT
  • Cursor
  • VS Code
  • Windsurf
  • Claude Code
  • JetBrains
  • Cline

Start here

Connect EPA Computational Toxicology once, then ask.

One click connects this MCP to your client. Your credentials stay encrypted, and you can start querying the EPA databases immediately.

Connect EPA Computational Toxicology to your AI

FAQ

How this task behaves

  • 01

    Can the AI update EPA database records?

    No. The AI can only read and retrieve existing data from the EPA databases.

  • 02

    Does the AI perform its own toxicity testing?

    No. The AI only retrieves results from existing EPA high-throughput screening and computational toxicology datasets.

  • 03

    Can I use this with Claude?

    Yes, as long as you are using an MCP-compatible client like Claude Desktop.

  • 04

    What if the CAS number is wrong?

    The search will fail. You must provide a valid CAS number for the agent to locate the chemical.

  • 05

    Can the AI write a regulatory submission for me?

    The AI can provide the data and summaries, but you are responsible for drafting and verifying any official regulatory documents.

  • More questions about EPA Computational Toxicology? The Connector page answers them. See everything the EPA Computational Toxicology Connector can do

Connect US EPA CompTox to Claude, Cursor, ChatGPT & more