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基因组尺度代谢模型生成的自动化。

Automation on the generation of genome-scale metabolic models.

作者信息

Reyes R, Gamermann D, Montagud A, Fuente D, Triana J, Urchueguía J F, de Córdoba P Fernández

机构信息

Universidad Pinar del Río Hermanos Saíz Montes de Oca, Pinar del Río, Cuba.

出版信息

J Comput Biol. 2012 Dec;19(12):1295-306. doi: 10.1089/cmb.2012.0183.

DOI:10.1089/cmb.2012.0183
PMID:23210477
Abstract

Nowadays, the reconstruction of genome-scale metabolic models is a nonautomatized and interactive process based on decision making. This lengthy process usually requires a full year of one person's work in order to satisfactory collect, analyze, and validate the list of all metabolic reactions present in a specific organism. In order to write this list, one manually has to go through a huge amount of genomic, metabolomic, and physiological information. Currently, there is no optimal algorithm that allows one to automatically go through all this information and generate the models taking into account probabilistic criteria of unicity and completeness that a biologist would consider. This work presents the automation of a methodology for the reconstruction of genome-scale metabolic models for any organism. The methodology that follows is the automatized version of the steps implemented manually for the reconstruction of the genome-scale metabolic model of a photosynthetic organism, Synechocystis sp. PCC6803. The steps for the reconstruction are implemented in a computational platform (COPABI) that generates the models from the probabilistic algorithms that have been developed. For validation of the developed algorithm robustness, the metabolic models of several organisms generated by the platform have been studied together with published models that have been manually curated. Network properties of the models, like connectivity and average shortest mean path of the different models, have been compared and analyzed.

摘要

如今,基因组规模代谢模型的重建是一个基于决策的非自动化且交互式的过程。这个漫长的过程通常需要一个人一整年的工作,才能令人满意地收集、分析和验证特定生物体中所有代谢反应的列表。为了编写这个列表,必须手动查阅大量的基因组、代谢组和生理信息。目前,还没有一种最优算法能够让人们自动查阅所有这些信息,并生成考虑到生物学家所认为的唯一性和完整性概率标准的模型。这项工作展示了一种针对任何生物体重建基因组规模代谢模型的方法的自动化。接下来的方法是对为光合生物集胞藻属PCC6803重建基因组规模代谢模型而手动执行的步骤的自动化版本。重建步骤在一个计算平台(COPABI)中实现,该平台根据已开发的概率算法生成模型。为了验证所开发算法的稳健性,将该平台生成的几种生物体的代谢模型与经过人工整理的已发表模型一起进行了研究。对不同模型的网络属性,如连通性和平均最短平均路径,进行了比较和分析。

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