search_similar_structures
Identify structurally similar chemicals in SureChEMBL by inputting a reference chemical ID and adjusting similarity thresholds. Retrieve relevant results for research or analysis.
Instructions
Find structurally similar chemicals using similarity search
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| limit | No | Number of results to return (1-100, default: 25) | |
| reference_id | Yes | Reference chemical ID for similarity search | |
| threshold | No | Similarity threshold (0.0-1.0, default: 0.7) |
Input Schema (JSON Schema)
{
"properties": {
"limit": {
"description": "Number of results to return (1-100, default: 25)",
"maximum": 100,
"minimum": 1,
"type": "number"
},
"reference_id": {
"description": "Reference chemical ID for similarity search",
"type": "string"
},
"threshold": {
"description": "Similarity threshold (0.0-1.0, default: 0.7)",
"maximum": 1,
"minimum": 0,
"type": "number"
}
},
"required": [
"reference_id"
],
"type": "object"
}