Focused Library - Reagent JoinΒΆ

Retrieves and applies the selected reagents from the specified reaction & reagent database to a user-specified site on a lead molecule

Extra Required Parameters

  • Filter Prepared Reagents (boolean) : If ON, performs filtering on the prepared reagents from the reaction & reagent database
    Default: True
  • Filter Products (boolean) : If ON, performs filtering on the generated products
    Default: True
  • Output Data (boolean) : If OFF, just counts records, but does not output them
    Default: True
  • Filter Reagents (boolean) : If ON, performs filtering on the unprepared reagents from the reaction & reagent database
    Default: True
  • Output Dataset (dataset_out) : Output dataset containing retrieved reagents
    Default: Reaction_reagents
  • Molecule ID (Field Type: String) : Name of the string field containing the molecule id
  • Reaction & Reagent Database (file_in) : The name of the reaction & reagent database to use
  • Lead Molecule (fragment_input) : Input lead molecule for joining reagents - select a specific site in the Sketcher