Unofficial PubChem MCP Server

MIT License

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calculate_descriptors

Generate molecular descriptors and fingerprints from PubChem Compound IDs. Specify descriptor types like basic, topological, or 3D to analyze chemical properties and structures effectively.

Instructions

Calculate comprehensive molecular descriptors and fingerprints

Input Schema

Name	Required	Description	Default
`cid`	Yes	PubChem Compound ID (CID)
`descriptor_type`	No	Type of descriptors (default: all)

Input Schema (JSON Schema)

{
  "properties": {
    "cid": {
      "description": "PubChem Compound ID (CID)",
      "type": [
        "number",
        "string"
      ]
    },
    "descriptor_type": {
      "description": "Type of descriptors (default: all)",
      "enum": [
        "all",
        "basic",
        "topological",
        "3d"
      ],
      "type": "string"
    }
  },
  "required": [
    "cid"
  ],
  "type": "object"
}

MCP directory API

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curl -X GET 'https://glama.ai/api/mcp/v1/servers/Augmented-Nature/Augmented-Nature-PubChem-MCP-Server'

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