Figure 1
From: New developments on the cheminformatics open workflow environment CDK-Taverna
Advanced reaction enumeration features: (left) The Variable RGroup feature allows the definition of chemical groups which can be flexibly attached to predefined atoms. (middle) The Atom Alias feature offers the possibility to define a wild card for preconfigured elements. (right) The Expandable Atom feature enables the definition of freely sizeable rings or aliphatic chains.