PubChem MCP Server

MIT License

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calculate_descriptors

Compute molecular descriptors and fingerprints for chemical compounds using PubChem CID and descriptor type options. Analyze properties, topological features, and 3D structures for chemical data insights.

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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