PubChem MCP Server

MIT License

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search_by_smiles

Find chemical compounds in PubChem by matching SMILES strings exactly. Utilize this tool to quickly retrieve precise molecular data for research or analysis purposes.

Instructions

Search for compounds by SMILES string (exact match)

Input Schema

Name	Required	Description	Default
`smiles`	Yes	SMILES string of the query molecule

Input Schema (JSON Schema)

{
  "properties": {
    "smiles": {
      "description": "SMILES string of the query molecule",
      "type": "string"
    }
  },
  "required": [
    "smiles"
  ],
  "type": "object"
}

Install Server

HTTP connection URL

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