superstructure_search
Find larger chemical compounds that contain your query structure using SMILES input to identify parent molecules and related chemical structures.
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"
}