Interface ISmilesGeneratorOptions

interface ISmilesGeneratorOptions {
    createSmarts?: boolean;
    includeMapping?: boolean;
    kekulizedOutput?: boolean;
}

Properties

createSmarts? includeMapping? kekulizedOutput?

Properties

Optional createSmarts

createSmarts?: boolean

Whether to create SMILES with SMARTS capabilities.

Default

false

Optional includeMapping

includeMapping?: boolean

Whether to include mapping information (atomMapNo) in the SMILES.

Default

false

Optional kekulizedOutput

kekulizedOutput?: boolean

Should localisation of double bonds be attempted?

Default

false

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