Pubchem MCP Server

🚀 Public Chemistry MCP Server

This MCP is used to extract the basic chemical information of drugs from the PubChem API.

🚀 Quick Start

✨ Features

This MCP server can efficiently extract basic chemical information of drugs from the PubChem API, providing users with comprehensive drug data.

📦 Installation

Prerequisites

• Python 3.10 or higher
• python-dotenv
• requests
• mcp
• uvicorn

Install Dependencies Locally

• Install directly from the project directory:

git clone [Project Repository URL]
cd [Project Directory]
pip install .

Configure the Server (pypi)

The servers_config.json has the same structure as that used by the Claude desktop, allowing easy integration of multiple servers. Here is an example:

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

💻 Usage Examples

Basic Usage

Here is an example of the results obtained by querying with this MCP:

{
  "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",
    "Aspirin",
    "Colfarit",
    "Dispril",
    "Easprin"
  ],
  "IUPAC Name": "2-Acetyloxybenzoic acid",
  "ATC Code": "N02BA01",
  "Detail Link": "https://pubchem.ncbi.nlm.nih.gov/compound/2244"
}