1Senior Member IEEE & Senior Professor, Department of Mathematics, Velammal Engineering College, Chennai-600 066
2Joint Director, Department of Bio-Technology, Ministry of Science and Technology, New Delhi-110 003.
*Corresponding Author: Gulshan Wadhwa, Email: gulshan.dbt@nic.in
Online published on 25 April, 2013.
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 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.
Graphs, Chemical Reaction Network, Metadigraphs, Hypergraphs, Stochastic Graph Transformation
