openchemlib-utils
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    Function combineSmiles

    • Generate molecules and calculate predicted properties form a list of smiles and fragments

      Parameters

      • coreSmiles: string
      • fragments: any[]

        Array of {smiles,R1,R2,...}

      • OCL: __module

        openchemlib library

      • Optionaloptions: { complexity?: boolean; onStep?: Function } = {}

        Options

        • Optionalcomplexity?: boolean

          returns only the number of molecules to evaluate

        • OptionalonStep?: Function

          method to execute each new molecules

      Returns Promise<any>

      promise that resolves to molecules or complexity as a number