search_by_smiles
Find chemical compounds in PubChem using SMILES string queries to identify exact molecular matches and access compound data.
Instructions
Search for compounds by SMILES string (exact match)
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| smiles | Yes | SMILES string of the query molecule |
Input Schema (JSON Schema)
{
"properties": {
"smiles": {
"description": "SMILES string of the query molecule",
"type": "string"
}
},
"required": [
"smiles"
],
"type": "object"
}