Application of hypergraph theory in chemistry
نویسندگان
چکیده
We investigate hypergraphs as mathematical model for representation of nonclassical molecular structures with polycentric delocalized bonds. The questions of identi0cation and canonical coding of molecular hypergraphs are considered. In order to recognize isomorphic hypergraphs, the canonical forms of incidence matrices are to be found. The algorithm for construction of canonical incidence matrix of hypergraph is proposed. Some chemical problems dealing with the hypergraph theory are discussed. c © 2001 Elsevier Science B.V. All rights reserved.
منابع مشابه
Hypergraph-Based Image Representation
An appropriate image representation induces some good image treatment algorithms. Hypergraph theory is a theory of finite combinatorial sets, modeling a lot of problems of operational research and combinatorial optimization. Hypergraphs are now used in many domains such as chemistry, engineering and image processing. We present an overview of a hypergraph-based picture representation giving muc...
متن کاملApplication of Graph Theory: Relationship of Topological Indices with the Partition Coefficient (logP) of the Monocarboxylic Acids
It is well known that the chemical behavior of a compound is dependent upon the structure of itsmolecules. Quantitative structure – activity relationship (QSAR) studies and quantitative structure –property relationship (QSPR) studies are active areas of chemical research that focus on the nature ofthis dependency. Topological indices are the numerical value associated with chemical constitution...
متن کاملOn the Pixel Expansion of Hypergraph Access Structures in Visual Cryptography Schemes
In a visual cryptography scheme, a secret image is encoded into n shares, in the form of transparencies. The shares are then distributed to n participants. Qualified subsets of participants can recover the secret image by superimposing their transparencies, but non-qualified subsets of participants have no information about the secret image. Pixel expansion, which represents the number of subpi...
متن کاملProposed Image Similarity Measurement Model based on Hypergraph
In this article, we propose a new image similarity measurement model (SMM) based hypergraph which is easy to calculate and applicable to various image processing application. Hypergraphs are now used in many domains such as chemistry, engineering and image processing. We present an overview of a hypergraph-based Image representation and the Image Adaptive Neighborhood Hypergraph (IANH). With th...
متن کاملApplication of Graph Theory: Investigation of Relationship Between Boiling Temperatures of Olefins and Topological Indices
Abstract: In this study an appropriate computational approach was presented for estimating the boiling temperatures of 41 different types of olefins and their derivatives. Based on the guidelines of this approach, several structural indices related to the organic components were applied using graph theory. Meanwhile, in addition to evaluating the relation between the boiling temperatures of ole...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Discrete Mathematics
دوره 235 شماره
صفحات -
تاریخ انتشار 2001