superstructure_search
Identify larger chemical compounds containing a specified structure using a SMILES string. Retrieve up to 10,000 results for comprehensive analysis of superstructures.
Instructions
Find larger compounds that contain the query structure
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| max_records | No | Maximum number of results (1-10000, default: 100) | |
| smiles | Yes | SMILES string of the query structure |
Input Schema (JSON Schema)
{
"properties": {
"max_records": {
"description": "Maximum number of results (1-10000, default: 100)",
"maximum": 10000,
"minimum": 1,
"type": "number"
},
"smiles": {
"description": "SMILES string of the query structure",
"type": "string"
}
},
"required": [
"smiles"
],
"type": "object"
}