Figure 2
From: New developments on the cheminformatics open workflow environment CDK-Taverna
Workflow for reaction enumeration: After loading a generic reaction ( IN REACTION , from a MDL RXN file) and two educt lists ( IN REACTANTS 1, IN REACTANTS 2 , from MDL SD files) the Reaction Enumerator worker performs the enumeration with the results stored as MDL RXN files. An additional PDF file is created which shows all enumerated reactions in a tabular manner. The results are stored in the output folder determined by the OUT input port.