PubChem MCP Server

MIT License

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predict_admet_properties

Predict ADMET properties (Absorption, Distribution, Metabolism, Excretion, Toxicity) for chemical compounds using PubChem CID or SMILES string to assess drug viability and safety.

Instructions

Predict ADMET properties (Absorption, Distribution, Metabolism, Excretion, Toxicity)

Input Schema

Name	Required	Description	Default
`cid`	No	PubChem Compound ID (CID)
`smiles`	No	SMILES string (alternative to CID)

Input Schema (JSON Schema)

{
  "properties": {
    "cid": {
      "description": "PubChem Compound ID (CID)",
      "type": [
        "number",
        "string"
      ]
    },
    "smiles": {
      "description": "SMILES string (alternative to CID)",
      "type": "string"
    }
  },
  "required": [],
  "type": "object"
}

Install Server

HTTP connection URL

Related Tools

predict_admet_properties
@Augmented-Nature/Augmented-Nature-PubChem-MCP-Server
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predict_solubility
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get_compound_properties
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get_pharmacophore_features
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