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pubchem

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pubchem simplifies the data retrieval from the PubChem API.

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import type { ComputedData, DataType } from '../CompoundData'; import { getNumberProperties } from './getNumberProperties'; /** * Returns the topological polar surface area in angstrom^2 * * @param data Data of a compound data request to the PubChem API * @returns Computed Data */ export function getTPSA(data: DataType): ComputedData { const tpsa = getNumberProperties(data, 'Topological Polar Surface Area'); return tpsa; }