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pubchem

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pubchem simplifies the data retrieval from the PubChem API.

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import type { DataType } from '../CompoundData.js'; import { getFormula } from './getFormula.js'; import { getInChI } from './getInChI.js'; import { getInChIKey } from './getInChIKey.js'; import { getSMILES } from './getSMILES.js'; export function getIdentifiers(data: DataType) { return { formula: getFormula(data), inchi: getInChI(data), inchiKey: getInChIKey(data), smiles: getSMILES(data), }; }