Generic placeholder image

Current Bioinformatics


ISSN (Print): 1574-8936
ISSN (Online): 2212-392X

Markov-Randic Indices for QSPR Re-Evaluation of Metabolic, Parasite- Host, Fasciolosis Spreading, Brain Cortex and Legal-Social Complex Networks

Author(s): Pablo Riera-Fernandez, Cristian R. Munteanu, Raquel Martin-Romalde, Aliuska Duardo-Sanchez and Humberto Gonzalez-Diaz

Volume 8, Issue 4, 2013

Page: [401 - 415] Pages: 15

DOI: 10.2174/1574893611308040003

Price: $65


The Randic index is a well known topological index (TI) used in QSAR/QSPR studies to quantify the molecular structure represented by a graph. In this work we review some aspects of this TI with special emphasis on the generalizations introduced by Kier & Hall and more recently by Estrada. Next, we introduced a new generalization using a Markov chain in order to obtain a new family of TIs called the Markov-Randi indices of order k-th (1χk). Later, we applied these new indices to seek models useful to calculate numerical quality scores S(Lij) for network links Lij (connectivity) in known complex networks. The linear models obtained produced the following results in terms of overall accuracy for network re-construction: Metabolic networks (70.48%), Parasite-Host networks (90.86%), CoCoMac brain cortex co-activation network (81.59%), NW Spain Fasciolosis spreading network (99.04%). Spanish financial law network (71.83%). This work opens a new door to the computational re-evaluation of network connectivity quality (collation) in different complex systems.

Keywords: Brain cortex networks, complex networks, connectome, disease spreading networks, legal-social networks, markov chains, metabolic reactions networks, quantitative structure-property relationships, topological indices.

Rights & Permissions Print Cite
© 2024 Bentham Science Publishers | Privacy Policy