pubchem_mcp_server

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PubChem

11 stars PythonOthers Updated May 4, 2026

Documentation

pubchem mcp server

the mcp is used to extract the drug basic chemical infomation from pubchem API.

Requirements

Python 3.10
`python-dotenv`
`requests`
`mcp`
`uvicorn`

Installation

Install the dependencies(local):

Install directly from the project directory

bash

git clone [project repository URL]
cd [project directory]
pip install .

Configure servers(pypi):

The `servers_config.json` follows the same structure as Claude Desktop, allowing for easy integration of multiple servers.

Here's an example:

json

{
  "mcpServers": {
    "pubchem": {
      "command": "uvx",
      "args": ["pubchem_mcp_server"]
    }
  }
}

the result of this MCP

json

{
  "Drug Name": "Aspirin",
  "CAS Number": "50-78-2",
  "Molecular Weight": 180.16,
  "Molecular Formula": "C9H8O4",
  "SMILES": "CC(=O)OC1=CC=CC=C1C(=O)O",
  "Synonyms": [
    "2-(Acetyloxy)benzoic Acid",
    "Acetylsalicylic Acid",
    "Acetysal",
    "Acylpyrin",
    "Aloxiprimum",
    "Aspirin",
    "Colfarit",
    "Dispril",
    "Easprin"
  ],
  "InchI Key": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
  "IUPAC Name": "2-acetyloxybenzoic acid",
  "ATC Code": "N02BA01",
  "Details Link": "https://pubchem.ncbi.nlm.nih.gov/compound/2244"
}

Frequently asked questions

What is pubchem_mcp_server?

pubchem_mcp_server is PubChem

How do I install pubchem_mcp_server?

Open the GitHub repository and follow its README. Most MCP servers are added to your client's MCP config, then called by your agent.

Is pubchem_mcp_server open source?

Yes — it is hosted on GitHub at https://github.com/sssjiang/pubchem_mcp_server and has 11 stars.

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