biothings_query_chems
Search chemical compounds using simple or complex Lucene queries. Get compound details like formula, weight, and XLogP from PubChem.
Instructions
Search chemical compounds via Lucene query (e.g., name, formula), returning compound details and query metadata.
Search for chemical compounds using a query string with various filtering options.
**Supported Query Features:**
1. Simple Queries: "C6H12O6" - Find compounds with molecular formula, "glucose" - Find compounds with name
2. Fielded Queries: "pubchem.molecular_formula:C6H12O6", "pubchem.molecular_weight:[100 TO 200]"
3. Range Queries: "pubchem.xlogp:>2", "pubchem.topological_polar_surface_area:[50 TO 100]"
4. Boolean Queries: "pubchem.hydrogen_bond_donor_count:>2 AND pubchem.hydrogen_bond_acceptor_count:>4"
Returns compound details including PubChem data like formula, weight, and XLogP.
Tool call template
Replace each placeholder with a value matching the input schema. Only required parameters are included; add optional parameters as needed.
{
"id": 1,
"jsonrpc": "2.0",
"method": "tools/call",
"params": {
"arguments": {
"q": "<q>"
},
"name": "biothings_query_chems"
}
}Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| q | Yes | ||
| size | No | ||
| skip | No | ||
| sort | No | ||
| No | |||
| fields | No | all |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| hits | Yes | ||
| took | No | ||
| total | No | ||
| max_score | No |