pub fn classify_smiles(smiles: &str) -> JsValueExpand description
Analyse a SMILES string and return functional-group + HS heading hint.
Returns a SmilesClassification JS object, or null if the SMILES string
is empty or cannot be parsed.
§JS return shape
{
"organic_class": "organic",
"functional_groups": ["CarboxylicAcid"],
"heading_hint": {
"chapter": 29,
"heading": 2915,
"rationale": "Carboxylic acid → heading 29.15",
"confidence": 0.60
}
}