NodeBi Reactor

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. Data Input 0 Type: Data
    Input table that contains reactant structure in Structure(Mrv, Sdf, Smiles, etc.) format.
  2. Data Input 1 Type: Data
    Input table that contains reactant structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output ports

  1. Data Output 0 Type: Data
    Output table that contains product molecules or the specific reactions in Marvin format.
  2. Data Output 1 Type: Data
    Output table that contains unreacted reactants in Marvin format.