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Random Models and Analyses for Chemical Graphs.

Authors :
Kouri, Tina M.
Pascua, Daniel
Mehta, Dinesh P.
Source :
International Journal of Foundations of Computer Science. Feb2015, Vol. 26 Issue 2, p269-291. 23p.
Publication Year :
2015

Abstract

This paper describes a random model for chemical graphs that captures the notion of valence along with algorithms to generate chemical graphs using this model. An approach for computing the probability that a particular chemical graph is generated under this model is provided. The model is also used to provide theoretical bounds on the accuracy of a class of canonical labeling algorithms for a class of hydrocarbons. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
01290541
Volume :
26
Issue :
2
Database :
Academic Search Index
Journal :
International Journal of Foundations of Computer Science
Publication Type :
Academic Journal
Accession number :
102447220
Full Text :
https://doi.org/10.1142/s0129054115500161