Unofficial PubChem MCP Server

MIT License

Overview InspectNew Schema Related Servers Reviews Score

calculate_descriptors

Generate molecular descriptors and fingerprints for PubChem compounds by CID. Choose descriptor types: basic, topological, 3D, or all to analyze chemical properties and structures.

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

We provide all the information about MCP servers via our MCP API.

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

If you have feedback or need assistance with the MCP directory API, please join our Discord server