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Uni Reactor (By Input)

ChemAxon / InfocomJChemReactor
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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.

Node details

Input ports
  1. Type: Table
    Data Input 0
    Input table that contains reaction structure in Structure(Mrv, Rxn, Smiles, etc.) format.
  2. Type: Table
    Data Input 1
    Input table that contains reactant structure in Structure(Mrv, Sdf, Smiles, etc.) format.
Output ports
  1. Type: Table
    Data Output 0
    Output table that contains product molecules or the specific reactions in Marvin format.
  2. Type: Table
    Data Output 1
    Output table that contains unreacted reactants in Marvin format.

Extension

The Uni Reactor (By Input) node is part of this extension:

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Related workflows & nodes

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