Reagent Molecule ClassificationΒΆ

Classify input molecule(s) and generate a classification report

Extra Required Parameters

  • Input Dataset (data_source) : Input molecules to classify
  • Reaction & Reagent Database (file_in) : The name of the reaction & reagent database to use
  • Input Dataset (data_source) : Input molecules to classify
  • Output Data (boolean) : If OFF, just counts records, but does not output them
    Default: True
  • Output Dataset (dataset_out) : Output dataset containing classified products
    Default: Classified_products