Cortexa research tool·structure·emolecules

EMolecules Search Smiles

Generate an eMolecules structure search URL for a SMILES string. Supports exact, substructure, and similarity search types. Returns a search_url to browse matching compounds — no API access to vendor data.

Livelast probed 2026-04-30 23:07Z· 102msCortexa

Status

The most recent probe succeeded. Safe to call from the agent today.

Last probed: 1d ago
Last success: 1d ago
Last latency: 102ms

Schema

JSON Schema the agent (or your API call) must match.

{
  "properties": {
    "max_results": {
      "default": 20,
      "description": "Maximum results (default: 20)",
      "type": "integer"
    },
    "operation": {
      "const": "search_smiles",
      "type": "string"
    },
    "search_type": {
      "default": "similarity",
      "description": "Search type: exact, substructure, similarity (default: similarity)",
      "type": "string"
    },
    "smiles": {
      "description": "SMILES string for the query compound",
      "type": "string"
    }
  },
  "required": [
    "smiles"
  ],
  "type": "object"
}

Examples (1)

Default EMolecules Search Smiles call

public-safeinput

{
  "max_results": 1,
  "smiles": "CC(=O)Oc1ccccc1C(=O)O"
}

Expected response keys: success

Anonymous-safe example. Rate-limited; no sign-in required.

Identifiers

Catalog ID: tu_eMolecules_search_smiles
Tool name: eMolecules_search_smiles
Added: 2026-04-30 22:47Z
Tags: tooluniverse

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