PubChem MCP Server
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- AlicenseAqualityAmaintenanceEnables AI agents and applications to search, retrieve, and analyze chemical compounds, substances, and bioassays from PubChem's vast chemical information database through comprehensive tools for chemical research and discovery.10331 npm9Apache 2.0
- FlicenseNot gradedqualityDmaintenanceEnables AI assistants to search and retrieve chemical compound information, structures, and physical properties from the PubChem database. It supports querying via compound names, SMILES notation, or CIDs to provide detailed molecular data for chemical analysis.5-
- FlicenseBqualityFmaintenanceA comprehensive Model Context Protocol server providing access to over 110 million chemical compounds with extensive molecular properties, bioassay data, and chemical informatics tools from the PubChem database.3047-
- AlicenseBqualityDmaintenanceEnables users to retrieve chemical safety information including compound properties, GHS safety classifications, and toxicity data from PubChem database using compound names or CIDs. Supports batch queries with caching for efficient chemical safety research and analysis.3MIT
- AlicenseNot gradedqualityBmaintenanceProvides access to the NIH PubChem chemistry compound database, enabling queries for compound synonyms and other data through natural language.11 npmMIT
- FlicenseBqualityFmaintenanceExtracts basic chemical information and drug data from the PubChem API. It enables users to retrieve molecular details such as SMILES, IUPAC names, molecular formulas, and synonyms for specific compounds.311-
TDQS
Scored across 30 tools
Most tools have distinct purposes with clear boundaries, such as 'get_compound_info' for general data versus 'get_compound_properties' for molecular metrics. However, some overlap exists, like 'search_by_smiles' and 'substructure_search' both involving SMILES queries, which could cause minor confusion without careful reading of descriptions.
All tool names follow a consistent verb_noun pattern using snake_case, such as 'analyze_molecular_complexity', 'calculate_descriptors', and 'search_compounds'. This uniformity makes the set predictable and easy to navigate, with no deviations in style or structure.
With 30 tools, the count is borderline high for a PubChem server, as it might overwhelm agents with many specialized functions. While it covers extensive chemical data needs, a more focused set of 15-25 tools could improve usability without sacrificing core functionality.
The tool set provides comprehensive coverage for chemical data retrieval and analysis, including search, retrieval, analysis, and prediction tools. It supports full CRUD-like workflows for compounds, assays, and properties, with no obvious gaps that would hinder agent operations in this domain.