ChemPal Documentation - v1.6.0
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    Interface ResolvedStructure

    The result of resolving a structure (SMILES or InChIKey) to searchable identifiers.

    export interface ResolvedStructure {
    /** Best human-readable name to feed the supplier search, if one was found. */
    name?: string;
    /**
    * Ranked candidate names to match a supplier's products against, best first (the first is
    * {@link name}). A CAS/formula resolves to several (Title + cleaned synonyms) so a product
    * is matched by whichever scores best; SMILES resolution sets only {@link name}.
    */
    names?: string[];
    /** Valid CAS number(s) resolved from the structure, shortest/best first. */
    cas?: string[];
    /** Canonical standard InChIKey — the structure fingerprint, useful for later verification. */
    inchikey?: string;
    /** Which resolver produced the usable identifier. */
    source?: 'cactus-name' | 'cactus-cas' | 'pubchem-inchikey' | 'pubchem-cas' | 'pubchem-formula';
    }
    interface ResolvedStructure {
        name?: string;
        names?: string[];
        cas?: string[];
        inchikey?: string;
        source?:
            | "cactus-name"
            | "cactus-cas"
            | "pubchem-inchikey"
            | "pubchem-cas"
            | "pubchem-formula";
    }
    Index

    Properties

    name?: string

    Best human-readable name to feed the supplier search, if one was found.

    names?: string[]

    Ranked candidate names to match a supplier's products against, best first (the first is name). A CAS/formula resolves to several (Title + cleaned synonyms) so a product is matched by whichever scores best; SMILES resolution sets only name.

    cas?: string[]

    Valid CAS number(s) resolved from the structure, shortest/best first.

    inchikey?: string

    Canonical standard InChIKey — the structure fingerprint, useful for later verification.

    source?:
        | "cactus-name"
        | "cactus-cas"
        | "pubchem-inchikey"
        | "pubchem-cas"
        | "pubchem-formula"

    Which resolver produced the usable identifier.