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. 2016 Jul 15;13:195–205. doi: 10.2142/biophysico.13.0_195

Figure 3.

Figure 3

Compound-filling framework of de novo metabolic pathway reconstruction. (a) The input is the chemical structure of a xenobiotic compound for a biodegradation prediction, or a final product compound for a biosynthesis prediction. (b) Pre-defined chemical transformation rules are applied so that the structures of intermediate compounds are automatically generated. (c) This process is iterated until it reaches to a known chemical compound.