pubchem/lib-esm/compoundData/identifiers/getSMILES.js

pubchem simplifies the data retrieval from the PubChem API.

// Names and Identifiers
import jp from 'jsonpath';
export function getSMILES(data) {
    return {
        value: jp.query(data, '$.Section[?(@.TOCHeading==="Names and Identifiers")]' +
            '.Section[?(@.TOCHeading==="Computed Descriptors")]' +
            '.Section[?(@.TOCHeading==="SMILES")]' +
            '.Information[0]')[0].Value.StringWithMarkup[0].String,
        label: 'SMILES',
        description: jp.query(data, '$.Section[?(@.TOCHeading==="Names and Identifiers")]' +
            '.Section[?(@.TOCHeading==="Computed Descriptors")]' +
            '.Section[?(@.TOCHeading==="SMILES")]')[0].Description,
    };
}
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