Search the PubChem chemical database for compounds, properties, safety data, bioactivity, cross-references, and entity summaries via MCP. STDIO or Streamable HTTP.
概览
@cyanheads/pubchem-mcp-server Search the PubChem chemical database for compounds, properties, safety data, bioactivity, cross-references, and entity summaries via MCP. STDIO or Streamable HTTP. 10 Tools • 6 Resources Chemical compounds and bioassays from PubChem. Search compounds by name, formula, or structure; fetch properties, safety data, bioactivity, drug-food interactions, molecular targets, and 3D structures; and find bioassays by biological target. Compound and assay records are also exposed as URI-templated resources, backed by the same client methods as the tools; many MCP clients are tool-only and never surface resources.
README
以下为原文 README 节选，完整内容请查看原文。
Overview
Chemical compounds and bioassays from PubChem. Search compounds by name, formula, or structure; fetch properties, safety data, bioactivity, drug-food interactions, molecular targets, and 3D structures; and find bioassays by biological target.
Tools
| Tool | Description |
|---|---|
pubchem_search_compounds |
Search for compounds by name, SMILES, InChI, InChIKey, formula, substructure, superstructure, or 2D similarity, or list the compounds a bioassay found active. |
安装
npx -y @cyanheads/pubchem-mcp-server@latest配置
{
"mcpServers": {
"pubchem-mcp-server": {
"type": "streamable-http",
"url": "https://pubchem.caseyjhand.com/mcp"
}
}
}