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基于扫描计算的生物网络快速网格布局算法

Fast grid layout algorithm for biological networks with sweep calculation.

作者信息

Kojima Kaname, Nagasaki Masao, Miyano Satoru

机构信息

Human Genome Center, Institute of Medical Science, University of Tokyo, 4-6-1 Shirokanedai, Minato-ku, Tokyo 108-8639, Japan.

出版信息

Bioinformatics. 2008 Jun 15;24(12):1433-41. doi: 10.1093/bioinformatics/btn196. Epub 2008 Apr 18.

Abstract

MOTIVATION

Properly drawn biological networks are of great help in the comprehension of their characteristics. The quality of the layouts for retrieved biological networks is critical for pathway databases. However, since it is unrealistic to manually draw biological networks for every retrieval, automatic drawing algorithms are essential. Grid layout algorithms handle various biological properties such as aligning vertices having the same attributes and complicated positional constraints according to their subcellular localizations; thus, they succeed in providing biologically comprehensible layouts. However, existing grid layout algorithms are not suitable for real-time drawing, which is one of requisites for applications to pathway databases, due to their high-computational cost. In addition, they do not consider edge directions and their resulting layouts lack traceability for biochemical reactions and gene regulations, which are the most important features in biological networks.

RESULTS

We devise a new calculation method termed sweep calculation and reduce the time complexity of the current grid layout algorithms through its encoding and decoding processes. We conduct practical experiments by using 95 pathway models of various sizes from TRANSPATH and show that our new grid layout algorithm is much faster than existing grid layout algorithms. For the cost function, we introduce a new component that penalizes undesirable edge directions to avoid the lack of traceability in pathways due to the differences in direction between in-edges and out-edges of each vertex.

AVAILABILITY

Java implementations of our layout algorithms are available in Cell Illustrator.

CONTACT

masao@ims.u-tokyo.ac.jp

SUPPLEMENTARY INFORMATION

Supplementary data are available at Bioinformatics online.

摘要

动机

正确绘制的生物网络对于理解其特征有很大帮助。检索到的生物网络布局质量对于通路数据库至关重要。然而,由于手动为每次检索绘制生物网络不现实,自动绘制算法必不可少。网格布局算法可处理各种生物学特性,例如根据亚细胞定位对齐具有相同属性的顶点以及处理复杂的位置约束;因此,它们成功地提供了生物学上可理解的布局。然而,现有的网格布局算法由于计算成本高,不适用于实时绘制,而实时绘制是应用于通路数据库的必要条件之一。此外,它们不考虑边的方向,其生成的布局缺乏对生化反应和基因调控的可追溯性,而这是生物网络中最重要的特征。

结果

我们设计了一种称为扫描计算的新计算方法,并通过其编码和解码过程降低了当前网格布局算法的时间复杂度。我们使用来自TRANSPATH的95个不同大小的通路模型进行了实际实验,结果表明我们新提出的网格布局算法比现有的网格布局算法快得多。对于成本函数,我们引入了一个新组件,该组件对不良边方向进行惩罚,以避免由于每个顶点的入边和出边方向不同而导致通路缺乏可追溯性。

可用性

我们布局算法的Java实现可在Cell Illustrator中获取。

联系方式

masao@ims.u-tokyo.ac.jp

补充信息

补充数据可在《生物信息学》在线获取。

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