SureChEMBL MCP Server

MIT License

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search_by_smiles

Find chemical compounds in the SureChEMBL database by inputting their SMILES structure notation. Specify the number of results to retrieve for efficient chemical patent research.

Instructions

Search for chemicals by SMILES structure notation

Input Schema

Name	Required	Description	Default
`limit`	No	Number of results to return (1-1000, default: 25)
`smiles`	Yes	SMILES string of the chemical structure

Input Schema (JSON Schema)

{
  "properties": {
    "limit": {
      "description": "Number of results to return (1-1000, default: 25)",
      "maximum": 1000,
      "minimum": 1,
      "type": "number"
    },
    "smiles": {
      "description": "SMILES string of the chemical structure",
      "type": "string"
    }
  },
  "required": [
    "smiles"
  ],
  "type": "object"
}

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