Unofficial PubChem MCP Server

MIT License

Overview InspectNew Schema Related Servers Reviews Score

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"
}

Install Server

HTTP connection URL

Related Tools

calculate_descriptors
@Augmented-Nature/PubChem-MCP-Server
analyze_molecular_complexity
@Augmented-Nature/Augmented-Nature-PubChem-MCP-Server
get_compound_properties
@Augmented-Nature/Augmented-Nature-PubChem-MCP-Server
get_compound_properties
@Augmented-Nature/PubChem-MCP-Server
get_compound_info
@Augmented-Nature/PubChem-MCP-Server
analyze_molecular_complexity
@Augmented-Nature/PubChem-MCP-Server

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