Retrieve Reaction Reagents

This floe will extract the reagents from a reaction & reagent database for a specific reagent id to a dataset.

Since reagent counts can be quite large, be conservative in the number of reagents requested as very large datasets cannot be viewed in the Analyze page.

The Molecule ID Field should generally match the source of the input molecules for the reaction & reagent database file. In the case of ZINC as the reagent source, zinc_id is the structure id field.

Extra Required Parameters

• Molecule ID Field (Field Type: String) : Fieldname for the output molecule ids
• Output Molecule (Field Type: Chem.Mol) : Fieldname for the output molecules

  Default: Mol
• Reaction & Reagent Database (file_in) : The name of the reaction & reagent database to use
• Output Dataset (dataset_out) : Output dataset containing retrieved reagents

  Default: Reaction_reagents