NodeBi Reactor (By Input)

Manipulator

Reactor is a virtual reaction processing tool which transforms starting compounds to products according to a given chemical reaction definition. The reaction scheme defines the way that the reactants are converted to products, and additional rules can encode the related knowledge to produce synthetically feasible molecules.

Input Ports

  1. Port Type: Data
    Input table that contains reaction structure in Structure(Mrv, Rxn, Smiles, etc.) format.
  2. Port Type: Data
    Input table that contains reactant structure in Structure(Mrv, Sdf, Smiles, etc.) format.
  3. Port Type: Data
    Input table that contains reactant structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output Ports

  1. Port Type: Data
    Output table that contains product molecules or the specific reactions in Marvin format.
  2. Port Type: Data
    Output table that contains unreacted reactants in Marvin format.