PubChem

PubChem

extract drug information from pubchem API.

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Overview

This MCP server is designed to extract basic chemical information for drugs from the PubChem API. It provides a structured set of drug properties suitable for ingestion by MCP workflows. The project lists Python 3.10 and common Python tooling as requirements, including python-dotenv, requests, mcp, and uvicorn. Installation can be performed by cloning the repository, navigating to the project directory, and running pip install .. The server is intended to be configured in a multi-server environment via servers_config.json, following a structure similar to Claude Desktop. An example configuration shows adding a pubchem MCP server with a command (uvx) and arguments (pubchem_mcp_server). The README also provides an example of the output produced by the MCP which includes fields such as Drug Name, CAS Number, Molecular Weight, Molecular Formula, SMILES, Synonyms, InChI Key, IUPAC Name, ATC Code, and a Details Link to PubChem. This indicates the MCP outputs a comprehensive set of identifiers, properties, and references for each queried drug, suitable for downstream processing and data integration.

Details

Owner
sssjiang
Language
Python
License
Updated
2025-12-07

Features

PubChem-based drug information extraction

Extracts basic chemical information for drugs directly from PubChem, enabling standardized data retrieval in MCP workflows.

Comprehensive output fields

Returns a rich set of drug properties including Drug Name, CAS Number, Molecular Weight, Molecular Formula, SMILES, InChI Key, IUPAC Name, ATC Code, and a Details Link.

Synonyms support

Includes a list of alternative drug names (synonyms) to improve matching and data coverage.

Standardized identifiers

Provides key identifiers such as CAS Number, InChI Key, and IUPAC Name for reliable cross-referencing.

Molecular properties

Outputs essential molecular properties like Molecular Weight and Molecular Formula for chemical context.

PubChem details link

Includes a direct Details Link to the PubChem compound page for quick reference and validation.

Configurable multi-server deployment

Configurable via servers_config.json to support multiple MCP servers (example shows adding a pubchem server with command and args).

Easy installation and deployment

Designed to install via pip in a local environment, with dependencies such as Python 3.10, python-dotenv, requests, mcp, and uvicorn.

Tags

PubChemdrug informationMCP serverchemical propertiesSMILESInChI KeyIUPAC nameATC codePubChem API