PubChem-MCP-Server

PubChem-MCP-Server

3.4

If you are the rightful owner of PubChem-MCP-Server and would like to certify it and/or have it hosted online, please leave a comment on the right or send an email to henry@mcphub.com.

The Unofficial PubChem MCP Server is a comprehensive Model Context Protocol server designed to provide access to the extensive PubChem chemical database, offering tools for chemical search, structure analysis, property assessment, bioassay data retrieval, and safety information.

The Unofficial PubChem MCP Server is a robust platform that facilitates access to the vast PubChem chemical database, which contains over 110 million chemical compounds. This server is designed to cater to the needs of researchers and professionals in the field of chemical informatics by providing a wide array of tools for chemical search and retrieval, structure analysis, property assessment, bioassay data retrieval, and safety information. The server is built with a modular architecture that ensures type-safe validation for all API inputs, comprehensive error handling, and efficient batch processing capabilities. It integrates seamlessly with other chemical and biological databases, making it an ideal choice for multi-database workflows. The server supports a variety of search methods, including name, CAS number, SMILES, and InChI, and offers detailed compound information, molecular properties, and bioactivity data. Additionally, it provides safety and toxicity information, cross-references to external databases, and supports batch processing for up to 200 compounds. With its extensive features and integration capabilities, the Unofficial PubChem MCP Server is a valuable resource for chemical informatics research and applications.

Features

  • Chemical Search & Retrieval: Search by name, CAS number, formula, or identifier.
  • Structure Analysis & Similarity: Tanimoto similarity search and substructure search.
  • Chemical Properties & Descriptors: Molecular weight, logP, TPSA, and more.
  • Bioassay & Activity Data: Find biological assays and detailed assay protocols.
  • Safety & Toxicity: GHS hazard classifications and LD50 data.

Tools

  1. search_compounds

    Search by name, CAS number, formula, or identifier.

  2. get_compound_info

    Detailed compound information by CID.

  3. search_similar_compounds

    Tanimoto similarity search.

  4. get_compound_properties

    Molecular weight, logP, TPSA, etc.

  5. get_safety_data

    GHS hazard classifications.