Perturbation Theory Model of Metabolic Reaction Networks

Gerardo M. Casañola-Martín; Facundo Pérez-Jiménez; Matilde Merino Sanjuan; James Green

doi:10.3390/mol2net-03-04612

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Perturbation Theory Model of Metabolic Reaction Networks

Gerardo M. Casañola-Martín

^{*

1},

Facundo Pérez-Jiménez

²,

Matilde Merino Sanjuan

³,

James R. Green

⁴

¹ Universidad Estatal Amazónica, Ecuador
² Department of Physical Chemistry, Universitat de València, València, Spain.
³ 3Department of Pharmacy and Pharmaceutical Technology, Universitat de València, València, Spain.
⁴ Department of Systems and Computer Engineering, Carleton University, K1S 5B6, Ottawa, ON, Canada.

Published: 26 September 2017 by MDPI in MOL2NET'17, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 3rd ed. congress CHEMBIOMOL-03: Chem. Biol. & Med. Chem. Workshop, Rostock, Germany-Bilbao, Spain-Galveston, Texas, USA, 2017

https://doi.org/10.3390/mol2net-03-04612

Abstract:

In this work, we used Perturbation Theory (PT) techniques to define a linear model for metabolic pathway networks of >40 organisms compiled by Barabasis’ group. We calculated PT operators for 150000 pairs of nodes (metabolites) using Markov linear indices f_k. The linear CPTML model obtained predicts network topology with values of accuracy, specificity, and sensitivity in the range of 85-100% in both training and external validation data series.

Keywords: Perturbation Theory; Metabolic Networks; Linear indices

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Gerardo M. Casañola-Martín

Facundo Pérez-Jiménez

Matilde Merino Sanjuan

James Green