How to Use the EPA Computational Toxicology MCP in OpenAI Agents SDK
Build production-grade chemical screening agents with the OpenAI Agents SDK and EPA CompTox data.
Works with every AI agent you already use
…and any MCP-compatible client
Connect EPA Computational Toxicology MCP to OpenAI Agents SDK
Create your Vinkius account to connect EPA Computational Toxicology to OpenAI Agents SDK and route execution through our secure gateway. The platform manages server hosting, runtime updates, and security layers. Configuration requires no manual server provisioning.
Resolve Chemical Identifiers
`search_chemical_by_casrn` and `search_chemical_by_name` let your OpenAI agents map raw identifiers to exact DTXSIDs. You hand the agent a messy list of industrial solvents. It hits the EPA database, resolves the synonyms, and locks down the exact chemical identities before passing the context to a specialized hazard-evaluation agent. Handoffs matter here. One agent handles the initial identifier resolution using `get_chemical_synonyms`. It then routes the validated DTXSID to a separate risk-assessment agent that pulls in regulatory lists via `get_chemical_lists`. The OpenAI guardrails ensure the agent never hallucinates a CAS registry number during the workflow.
Run Toxicity Checks via MCP Server
`get_hazard_summary` and `get_bioactivity_summary` pull high-throughput ToxCast screening results straight into your agent's context window. Your AI client doesn't guess if a compound causes endocrine disruption. It reads the actual ToxValDB hazard assessment data directly from the source. You configure this in Python using `MCPServerStreamableHttp` with `cacheToolsList=True` for speed. The agent executes the tools, evaluates the bioactivity thresholds, and logs the entire decision chain in your OpenAI dashboard tracing. If the toxicity exceeds your safety parameters, the agent halts the process.
Analyze Environmental Fate
`get_exposure_summary` and `get_fate_and_transport` feed predicted environmental half-life and product use data to your agents. You need to know if a chemical persists in municipal water. The agent queries the ExpoCast data through the MCP server and retrieves the exact bioconcentration metrics. Combine this with `get_physicochemical_properties`. The agent checks the experimental melting point and logP values to build a complete environmental profile. Since the OpenAI Agents SDK auto-discovers these tools, you just pass the server to your agent constructor and let it run the queries.
Set up EPA Computational Toxicology MCP in OpenAI Agents SDK
Prerequisites
- Python 3.10+ installed
-
openai-agentspackage (pip install openai-agents) - Active Vinkius subscription with a valid endpoint token
- 1
Install the SDK
Run
pip install openai-agentsto install the OpenAI Agents SDK. The MCP integration is built-in — no extra dependencies needed. - 2
Connect via SSE transport
Use
MCPServerSsewith your Vinkius endpoint URL. Replace[YOUR_TOKEN_HERE]with your token from cloud.vinkius.com. The SDK auto-discovers all EPA Computational Toxicology tools at runtime. - 3
Create your Agent
Pass the MCP to
Agent(mcp_servers=[server]). The agent receives EPA Computational Toxicology tools as native definitions — JSON schemas resolve automatically. - 4
Run the agent
Call
Runner.run(agent, prompt)to execute. The agent invokes the appropriate EPA Computational Toxicology tools and returns structured results. Copy the full example on the right to get started.
import asyncio
from agents import Agent, Runner
from agents.mcp import MCPServerSse
async def main():
async with MCPServerSse(
url="https://edge.vinkius.com/[YOUR_TOKEN_HERE]/mcp"
) as server:
agent = Agent(
name="EPA Computational Toxicology Agent",
instructions="You have access to EPA Computational Toxicology tools.",
mcp_servers=[server],
)
result = await Runner.run(agent, "List recent transactions")
print(result.final_output)
asyncio.run(main()) 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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