Reagent Definition Generator

Category Paths

Follow one of these paths in the Orion user interface, to find the floe.

• Role-based/Cheminformatician/Medicinal Chemistry Support

Description

Generates a reagent definition from a set of exemplars that can be incorporated into a reaction definition file

Parameter title in user interface (promoted name)

• Input Dataset (data_in) type: data_source: The dataset(s) to read records from

Parameter title in user interface (promoted name)

• Molecule Field for Exemplar Data (in_mol_field) type: Field Type: Chem.Mol: The fieldname of the molecule in the exemplars input

Parameter title in user interface (promoted name)

• Reagent Name (reagname) type: string: The reagent name to include with the definition

  Default: REAGENT_NAME

Parameter title in user interface (promoted name)

• Reaction Name (rxnname) type: string: The reaction name to include with the definition

  Default: REACTION_NAME