HALOWERKMedwerk
molecule identity
Takes any common identifier for a chemical and returns the canonical PubChem compound: the CID, molecular formula, molecular weight, canonical and isomeric SMILES, InChI and InChI key, the IUPAC name, and the computed properties that decide most downstream work — logP, exact mass, polar surface area, hydrogen bond donors and acceptors, rotatable bonds and formal charge. Ambiguity is checked and reported first rather than resolved silently: common names frequently match several compounds.
POST https://med.halowerk.com/v1/molecule-identityEingaben
| Feld | Typ | Pflicht | Beschreibung |
|---|---|---|---|
| query | string | Ja | Name, CID, SMILES, InChI key or molecular formula. |
| input_type | string | Nein | |
| include_synonyms | boolean | Nein |
Vollständiges Eingabeschema anzeigen
{
"type": "object",
"required": [
"query"
],
"additionalProperties": false,
"properties": {
"query": {
"type": "string",
"minLength": 1,
"maxLength": 500,
"description": "Name, CID, SMILES, InChI key or molecular formula."
},
"input_type": {
"type": "string",
"enum": [
"auto",
"name",
"cid",
"smiles",
"inchikey",
"formula"
],
"default": "auto"
},
"include_synonyms": {
"type": "boolean",
"default": false
}
}
}Veröffentlichtes Eingabebeispiel
{
"query": "aspirin"
}Ergebnis & Dokumentation
Maschinenlesbare Dokumentation dieses Hubs
Quelle dieser Seite: der veröffentlichte HALOWERK-Katalog. Stand: 2026-11-01, 15:19 UTC.
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