🧬 API ExplorerCheminformatics Gateway
POST/api/rdkit/validate

Validate SMILES

Validate a SMILES string. Returns canonical SMILES, InChI, InChIKey, atom and bond counts. Use this as the first step before any computation to ensure inputs are valid.

Parameters
smilesstringrequired
Input SMILES string to validate
Example: "CCO"
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Request Body (JSON)
Example Responsestatic preview
{
  "valid": true,
  "canonical_smiles": "CCO",
  "inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",
  "inchi_key": "LFQSCWFLJHTTHZ-UHFFFAOYSA-N",
  "num_atoms": 9,
  "num_heavy_atoms": 3,
  "num_bonds": 8
}
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