Estrada, E. and Matamala, A.R. and , Ramon y Cajal program Spain (Funder) (2008) GTIspace: the space of generalized topological indices. Journal of Mathematical Chemistry, 43 (2). pp. 508517. ISSN 02599791

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Abstract
A new extension of the generalized topological indices (GTI) approach is carried out to represent 'simple' and 'composite' topological indices (TIs) in an unified way. This approach defines a GTIspace from which both simple and composite TIs represent particular subspaces. Accordingly, simple TIs such as Wiener, Balaban, Zagreb, Harary and Randić connectivity indices are expressed by means of the same GTI representation introduced for composite TIs such as hyperWiener, molecular topological index (MTI), Gutman index and reverse MTI. Using GTIspace approach we easily identify mathematical relations between some composite and simple indices, such as the relationship between hyperWiener and Wiener index and the relation between MTI and first Zagreb index. The relation of the GTIspace with the substructural cluster expansion of property/activity is also analysed and some routes for the applications of this approach to QSPR/QSAR are also given. Keywords:
Item type:  Article 

ID code:  14311 
Keywords:  graph theory, generalized graph matrix, topological indices, molecular descriptors, algebraic graph theory, Chemistry, Mathematics, Chemistry(all), Applied Mathematics 
Subjects:  Science > Chemistry Science > Mathematics 
Department:  Faculty of Science > Mathematics and Statistics 
Depositing user:  Mrs Carolynne Westwood 
Date Deposited:  20 Jan 2010 11:04 
Last modified:  27 Mar 2015 00:18 
URI:  http://strathprints.strath.ac.uk/id/eprint/14311 
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