PubChem MCP Server

MIT License

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calculate_descriptors

Compute molecular descriptors and fingerprints using PubChem's CID for structural and property analysis. Select from basic, topological, 3D, or all descriptor types.

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/PubChem-MCP-Server'

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