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Visual exploration of isotope labeling networks in 3D

机译:可视化3D同位素标记网络

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摘要

Isotope labeling networks (ILNs) are graphs explaining the flow of isotope labeled molecules in a metabolic network. Moreover, they are the structural backbone of metabolic flux analysis (MFA) by isotopic tracers which has been established as a standard experimental tool in fluxomics. To configure an isotope labeling experiment (ILE) for MFA, the structure of the corresponding ILN must be understood to a certain extent even by a practitioner. Graph algorithms help to analyze the network structure but produce rather abstract results. Here, the major obstruction is the high dimension of these networks and the large number of network components which, consequently, are hard to figure out manually. At the interface between theory and experiment, the three-dimensional interactive visualization tool CumoVis has been developed for exploring the network structure in a step by step manner. Navigation and orientation within ILNs are supported by exploiting the natural 3D structure of an underlying metabolite network with stacked labeled particles on top of each metabolite node. Network exploration is facilitated by rotating, zooming, forward and backward path tracing and, most important, network component reduction. All features of CumoVis are explained with an educational example and a realistic network describing carbon flow in the citric acid cycle.
机译:同位素标记网络(ILN)是解释代谢网络中同位素标记分子的流动的图。此外,它们是通过同位素示踪剂进行的代谢通量分析(MFA)的结构骨干,该示踪剂已被确立为通量组学的标准实验工具。要为MFA配置同位素标记实验(ILE),即使从业人员也必须在一定程度上了解相应ILN的结构。图算法有助于分析网络结构,但会产生相当抽象的结果。在这里,主要的障碍是这些网络的高维度和大量的网络组件,因此很难手动找出。在理论和实验之间的界面上,开发了三维交互式可视化工具CumoVis,以逐步探索网络结构。通过利用基础代谢物网络的自然3D结构(在每个代谢物节点顶部具有堆叠的标记颗粒)来支持ILN内的导航和定向。通过旋转,缩放,前进和后退路径跟踪以及最重要的是减少网络组件,可以促进网络探索。 CumoVis的所有功能都通过一个教育示例和一个描述柠檬酸循环中碳流量的现实网络进行了解释。

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