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. 2018 Mar 5;9:96. doi: 10.3389/fphar.2018.00096

Figure 2.

Figure 2

Example of three steps used to construct the table of reaction rules. (A) Identification of reaction cores. The atoms with changed atom attributes are highlighted in red and blue within the two reactants. (B) Extraction of the moieties. (C) Identification of building blocks containing the reactant moieties. (D) Illustration of the steps in generating products.