Graph Theory Applications in Chemical Indices Computation - Couverture souple

Peng, Bo; Gao, Wei

 
9783659920295: Graph Theory Applications in Chemical Indices Computation

Synopsis

Chemical compounds and drugs are often modeled as graphs where each vertex represents an atom of molecule and covalent bounds between atoms are represented by edges between the corresponding vertices. This graph derived from a chemical compounds is often called its molecular graph and can be different structures. An indicator defined over this molecular graph has been shown to be strongly correlated to various chemical properties of the compounds. In this paper, we determine the several important indices of some common appeared molecular graphs in chemical engineering.

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À propos de l'auteur

Bo Peng is a researcher in School of Information Science and Technology, Yunnan Normal University.

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