README.md
Extracts basic chemical information and drug data from the PubChem API.
pubchem mcp server
the mcp is used to extract the drug basic chemical infomation from pubchem API.
Requirements
- Python 3.10
python-dotenvrequestsmcpuvicorn
Installation
Install the dependencies(local):
- Install directly from the project directory
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:
{
"mcpServers": {
"pubchem": {
"command": "uvx",
"args": ["pubchem_mcp_server"]
}
}
}
the result of 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",
"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"
}
Tools (1)
get_drug_infoExtract drug basic chemical information from PubChem API including SMILES, IUPAC names, and molecular formulas.Configuration
claude_desktop_config.json
{
"mcpServers": {
"pubchem": {
"command": "uvx",
"args": ["pubchem_mcp_server"]
}
}
}Try it
→Find the chemical information for Aspirin.
→What is the SMILES string and IUPAC name for Ibuprofen?
→Get the molecular weight and CAS number for Caffeine from PubChem.
→Show me the synonyms and ATC code for Metformin.