Year: 2013 | Month: April | volume 1 | Issue 1
Graph transforms for modeling chemical reaction pathways
Abstract: <div>In this paper we discuss some general graph-theoretic formalism analogous to the chemical concepts of reactions and kits of reaction rules. We believe that this</div><div>mathematical formalism may lead to improvements in Computer-assisted Organic Synthesis. Further we indicate that hypergraphs and its structure can be used to model the chemical reaction network.</div>
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