Events MOL2NET'17, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 3rd ed.

Event submissions

Published

This submission belongs to the session 02. CHEMBIOMOL-03: Chem. Biol. & Med. Chem. Workshop, Rostock, Germany-Bilbao, Spain-Galveston, Texas, USA, 2017 of the event MOL2NET'17, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 3rd ed.

Published date

26 Sep, 2017

Citation

Gerardo M. Casañola-Martín, Matilde Merino Sanjuan, Facundo Pérez-Jiménez, James R. Green, Perturbation Theory Model of Metabolic Reaction Networks , in Proceedings of MOL2NET'17, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 3rd ed., 15 January–15 December 2017, MDPI: Basel, Switzerland, 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.

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

Poster

MOL2NET-2017-gerard.pdf

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