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2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops最新文献

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GxG-Viztool: A program for visualizing gene-gene interactions in genetic association analysis GxG-Viztool:在遗传关联分析中可视化基因-基因相互作用的程序
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470249
Kyunga Kim, Min-Seok Kwon, Sungyoung Lee, J. Namkung, Ming D. Li, T. Park
Gene-gene interactions are important factors underlying a common complex trait that is mostly polygenic. While many methods have been proposed to analyze gene-gene interactions in genetic association studies, the interpretation of the identified gene-gene interactions is not straightforward. In order to aid the interpretation of gene-gene interactions, we developed the GxG-Viztool, an executable program for visualizing gene-gene interactions in genetic association analysis. The GxG-Viztool provides an effective way to recognize genotype combinations that enhance/repress a trait and to display polygenic structure of interactions. The GxG-Viztool implements six graphical tools: checkerboard, pairwise checkerboard, forest, funnel, 3D lattice and parallel coordinate plots, which make it effective to recognize certain patterns in gene-gene interactions. It is freely available at http ://bibs. snu. ac. kr/GxG-Viz tool.
基因间的相互作用是多基因复杂性状的重要因素。虽然在遗传关联研究中提出了许多方法来分析基因-基因相互作用,但对已确定的基因-基因相互作用的解释并不简单。为了帮助解释基因-基因相互作用,我们开发了GxG-Viztool,这是一个在遗传关联分析中可视化基因-基因相互作用的可执行程序。GxG-Viztool提供了一种有效的方法来识别增强/抑制性状的基因型组合,并显示相互作用的多基因结构。GxG-Viztool实现了棋盘图、成对棋盘图、森林图、漏斗图、三维格子图和平行坐标图等6种图形工具,能够有效识别基因-基因相互作用中的某些模式。它可以在http://bibs上免费获得。snu。ac. kr/GxG-Viz工具。
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引用次数: 1
Identifying essential proteins via integration of protein interaction and gene expression data 通过整合蛋白质相互作用和基因表达数据来鉴定必需蛋白质
Pub Date : 2012-10-04 DOI: 10.1109/BIBM.2012.6392716
Xiwei Tang, Jianxin Wang, Yi Pan
Essential proteins are vital for an organism's viability under a variety of conditions. Computational prediction of essential proteins based on the global protein-protein interaction (PPI) network is severely restricted because of the insufficiency of the PPI data, but fortunately the gene expression profiles help to make up the deficiency. In this work, Pearson correlation coefficient (PCC) is used to bridge the gap between PPI and gene expression data. Based on PCC and Edge Clustering Coefficient (ECC), a new centrality measure, i.e., the weighted degree centrality (WDC), is developed to achieve the reliable prediction of essential proteins. WDC is employed to identify essential proteins in the yeast PPI network in order to estimate its performance. For comparison, other prediction technologies are also performed to identify essential proteins. Some evaluation methods are used to analyze the results from various prediction approaches. The analyses prove that WDC outperforms other state-of-the-art ones. At the same time, the analyses also mean that it is an effective way to predict essential proteins by means of integrating different data sources.
必需蛋白质对生物体在各种条件下的生存能力至关重要。基于全局蛋白-蛋白相互作用(PPI)网络的必需蛋白的计算预测由于PPI数据的不足而受到严重限制,但幸运的是基因表达谱有助于弥补这一缺陷。在这项工作中,使用Pearson相关系数(PCC)来弥合PPI和基因表达数据之间的差距。在PCC和边缘聚类系数(ECC)的基础上,提出了一种新的中心性测度加权度中心性(WDC)来实现对必需蛋白的可靠预测。利用WDC识别酵母PPI网络中的必需蛋白,以评估其性能。为了比较,其他预测技术也被用于识别必需蛋白质。用一些评价方法对各种预测方法的结果进行了分析。分析证明,WDC优于其他最先进的技术。同时,这些分析也意味着通过整合不同的数据来源来预测必需蛋白质是一种有效的方法。
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引用次数: 14
Prediction of antimicrobial activity of peptides using relational machine learning 利用关系机器学习预测多肽的抗菌活性
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470203
Andrea Szabóová, Ondřej Kuželka, F. Železný
We apply relational machine learning techniques to predict antimicrobial activity of peptides. We follow our successful strategy (Szabóová et al., MLSB 2010) to prediction of DNA-binding propensity of proteins from structural features. We exploit structure prediction methods to obtain peptides' spatial structures, then we construct the structural relational features. We use these relational features as attributes in a regression model. We apply this methodology to antimicrobial activity prediction of peptides achieving better predictive accuracies than a state-of-the-art approach.
我们应用关系机器学习技术来预测肽的抗菌活性。我们遵循我们成功的策略(Szabóová等人,MLSB 2010),从结构特征预测蛋白质的dna结合倾向。利用结构预测方法获取多肽的空间结构,构建多肽的结构关系特征。我们在回归模型中使用这些关系特征作为属性。我们将这种方法应用于肽的抗菌活性预测,比最先进的方法具有更好的预测准确性。
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引用次数: 3
An adaptive feature selection method for microarray data analysis 微阵列数据分析中的自适应特征选择方法
Pub Date : 2012-10-04 DOI: 10.1109/BIBM.2012.6392686
Jie Cheng, J. Greshock, Leming Shi, Jeffery L. Painter, Xiwu Lin, Kwan R. Lee, Shu Zheng, R. Wooster, L. Pusztai, A. Menius
Feature selection is one of the most important research topics in high dimensional array data analysis. We propose a two-way filtering based method that utilizes a pair of statistics coupled with rigorous cross-validation to identify the most informative features from different types of distributions. We evaluate the utility of the proposed adaptive feature selection method on six MicroArray Quality Control Phase II (MAQC-II) datasets. The results show that our method yields models with significantly fewer features and can achieve comparable or superior classification performance compared to models generated from other feature selection methods, suggesting high quality feature selection.
特征选择是高维阵列数据分析中的重要研究课题之一。我们提出了一种基于双向过滤的方法,该方法利用一对统计数据加上严格的交叉验证,从不同类型的分布中识别出信息量最大的特征。我们评估了所提出的自适应特征选择方法在六个MicroArray质量控制阶段II (MAQC-II)数据集上的效用。结果表明,与其他特征选择方法产生的模型相比,我们的方法产生的模型特征明显减少,并且可以达到相当或更好的分类性能,表明我们的方法可以获得高质量的特征选择。
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引用次数: 2
Mining the associations between pharmic quality and ingredients of traditional Chinese medicines 挖掘中药成分与药物质量的关系
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470368
Xia Wu, Hui-Jin Wang, Guo-ming Chen, Weiheng Zhu, Shun Long
This paper presents our works to tackle three key problems in modern research of traditional Chinese medicines. Based on a dataset of 100 medicines (each with 60 major ingredients), we evaluate various data mining approaches in order to unveil the underlying associations between these chemical ingredients and the pharmic qualities of the medicines. Based on our experiements, we conclude that these associations do exist and can be effectively unveiled. Various performance enhancement techniques are then evaluated, among which we identify the best classification approach for practice. These unveiled associations between pharmic quality and ingredients of traditional Chinese medicine can help guide future researches in this area, particularly in the development of new medicines.
本文介绍了我们为解决中药现代研究中的三个关键问题所做的工作。基于100种药物(每种药物有60种主要成分)的数据集,我们评估了各种数据挖掘方法,以揭示这些化学成分与药物质量之间的潜在关联。根据我们的实验,我们得出结论,这些关联确实存在,并且可以有效地揭示出来。然后评估了各种性能增强技术,其中我们确定了最佳的分类方法。这些揭示的中药成分与药物质量之间的关系有助于指导这一领域的未来研究,特别是新药的开发。
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引用次数: 0
(3) The CellOrganizer project: An open source system to learn image-derived models of subcellular organization over time and space (3) CellOrganizer项目:一个开源系统,用于学习亚细胞组织随时间和空间的图像衍生模型
Pub Date : 2012-10-04 DOI: 10.1109/BIBM.2012.6392673
R. Murphy
The CellOrganizer project (http://cellorganizer.org) provides open source tools for learning generative models of cell organization directly from images and for synthesizing cell images (or other representations) from one or more of those models. Model learning captures variation among cells in a collection of images. Images used for model learning and instances synthesized from models can be two- or three-dimensional static images or movies. Current components of CellOrganizer can learn models of cell shape, nuclear shape, chromatin texture, vesicular organe lie number, size, shape and position, and microtubule distribution. These models can be conditional upon each other: for example, for a given synthesized cell instance, organelle position will be dependent upon the cell and nuclear shape of that instance. The models can be parametric, in which a choice is made about an explicit form to represent a particular structure, or non-parametric, in which distributions are learned empirically. One of the main uses of the system is in support of cell simulations: models learned from separate experiments can be combined into one or more synthetic cell instances that are output in a form compatible with cell simulation engines such as MCell, Virtual Cell and Smoldyn. Another important application of the system is in comparison of target patterns and perturbagen effects in high content screening and analysis. This is currently done using numerical features, but these are difficult to compare across different microscope systems or cell types since features can be affected by changes in more than one aspect of cell organization. More robust comparisons can be made using generative model parameters, since these can distinguish effects on cell size or shape from effects on organelle pattern. Ultimately, it is anticipated that collaborative efforts by many groups will enable creation of image-derived generative models that permit accurate modeling of cell behaviors, and that can be used to drive experimentation to improve them through active learning. [replace "perturbation" for the word "perturbagen"]
CellOrganizer项目(http://cellorganizer.org)提供了开源工具,用于直接从图像中学习细胞组织的生成模型,并用于从一个或多个模型中合成细胞图像(或其他表示)。模型学习捕捉图像集合中细胞之间的变化。用于模型学习的图像和从模型合成的实例可以是二维或三维静态图像或电影。当前的CellOrganizer组件可以学习细胞形状、核形状、染色质质地、囊泡器官数目、大小、形状和位置以及微管分布的模型。这些模型可以相互依赖:例如,对于给定的合成细胞实例,细胞器位置将取决于该实例的细胞和核形状。模型可以是参数化的,即选择一种明确的形式来表示特定的结构,也可以是非参数化的,即根据经验学习分布。该系统的主要用途之一是支持细胞模拟:从单独的实验中学习的模型可以组合成一个或多个合成细胞实例,这些实例以与细胞模拟引擎(如MCell, Virtual cell和Smoldyn)兼容的形式输出。该系统的另一个重要应用是在高含量筛选和分析中比较目标模式和摄动效应。目前这是使用数值特征来完成的,但是这些很难在不同的显微镜系统或细胞类型之间进行比较,因为特征可能受到细胞组织多个方面的变化的影响。可以使用生成模型参数进行更可靠的比较,因为这些参数可以区分对细胞大小或形状的影响与对细胞器模式的影响。最终,预计许多小组的合作努力将能够创建图像衍生的生成模型,这些模型允许对细胞行为进行精确建模,并可用于推动实验,通过主动学习来改进它们。[用“摄动”一词代替“摄动”一词]
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引用次数: 0
Stress induces biphasic-rewiring and modularization patterns in the metabolomic networks of Escherichia coli 应激诱导大肠杆菌代谢组学网络中的双相重布线和模块化模式
Pub Date : 2012-10-04 DOI: 10.1109/BIBM.2012.6392626
M. Aziz, Philemon Chan, J. Osorio, B. F. Minhas, Vaisak Parekatt, G. Caetano-Anollés
Metabolomic networks describe correlated change in metabolite levels that crucially link the transcriptome and proteome with the complex matter and energy dynamics of small molecule metabolism. These networks are atypical. They do not directly portray regulatory and pathway information, yet they embed both. Here we study how stress rewires the metabolomic networks of Escherichia coli. Networks with vertices describing metabolites and edges representing correlated changes in metabolite concentrations were used to study time resolved bacterial responses to four non-lethal stress perturbations, cold, heat, lactose diauxie, and oxidative stress. We find notable patterns that are common to all stress responses examined: (1) networks are random rather than scale-free, i.e. metabolite connectivity is dictated by large network components rather than `hubs' (2) networks rewire quickly even in the absence of stress and are therefore highly dynamic; (3) rewiring occurs minutes after exposure to the Stressor and results in significant decreases in network connectivity, and (4) at longer time frames connectivity is regained. The common biphasic-rewiring pattern revealed in our time-resolved exploration of metabolite connectivity also uncovers unique structural and functional features. We find that stress-induced decreases in connectivity were always counterbalanced by increases in network modularity. Remarkably, rewiring begins with energetics and carbon metabolism that is needed for growth and then focuses on lipids, hubs and metabolic centrality needed for membrane restructuring. While these patterns may simply represent the need of the cell to stop growing and to prepare for uncertainty, the biphasic modularization of the network is an unanticipated result that links the effects of environmental perturbations and the generation of modules in biology.
代谢组学网络描述了代谢物水平的相关变化,这些变化将转录组和蛋白质组与小分子代谢的复杂物质和能量动力学联系起来。这些网络是非典型的。它们不直接描绘调控和通路信息,但它们嵌入了这两者。在这里,我们研究压力如何重新连接大肠杆菌的代谢组学网络。用顶点描述代谢物和边缘表示代谢物浓度相关变化的网络来研究时间分解细菌对四种非致死应激扰动(冷、热、乳糖双氧和氧化应激)的反应。我们发现了所有压力反应的共同模式:(1)网络是随机的,而不是无标度的,即代谢物的连接是由大型网络组件而不是“枢纽”决定的;(2)即使在没有压力的情况下,网络也会迅速重新连接,因此是高度动态的;(3)重新布线发生在应激源暴露几分钟后,导致网络连通性显著降低;(4)在较长的时间框架内,连通性得以恢复。在我们对代谢物连接的时间分辨率探索中揭示的常见的双相重布线模式也揭示了独特的结构和功能特征。我们发现应力引起的连通性下降总是被网络模块化的增加所抵消。值得注意的是,重新布线始于生长所需的能量和碳代谢,然后集中于膜重组所需的脂质、枢纽和代谢中心。虽然这些模式可能只是代表细胞停止生长和为不确定性做准备的需要,但网络的双相模块化是一种意想不到的结果,它将环境扰动的影响与生物学中模块的产生联系起来。
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引用次数: 4
Efficient basin hopping in the protein energy surface 高效的盆地跳跃在蛋白质能量表面
Pub Date : 2012-10-04 DOI: 10.1109/BIBM.2012.6392655
Brian S. Olson, Amarda Shehu
The vast and rugged protein energy surface can be effectively represented in terms of local minima. The basin-hopping framework, where a structural perturbation is followed by an energy minimization, is particularly suited to obtaining this coarse-grained representation. Basin hopping is effective for small systems both in locating lower-energy minima and obtaining conformations near the native structure. The efficiency decreases for large systems. Our recent work improves efficiency on large systems through molecular fragment replacement. In this paper, we conduct a detailed investigation of two components in basin hopping, perturbation and minimization, and how they work in concert to affect the sampling of near-native local minima. We show that controlling the magnitude of perturbation jumps is related to the ability to effectively steer the exploration towards conformations near the protein native state. In minimization, we show that a simple greedy search is just as effective as Metropolis Monte Carlo-based minimization. Finally, we show that an evolutionary-inspired approach based on the Pareto front is particularly effective in reducing the ensemble of sampled local minima and obtains a simpler representation of the probed energy surface.
用局部极小值可以有效地表示巨大而崎岖的蛋白质能量面。跳跃盆地框架,其中结构扰动之后是能量最小化,特别适合于获得这种粗粒度表示。对于小系统而言,盆地跳变在寻找低能量最小值和获得靠近原生构造的构象方面都是有效的。对于大型系统,效率会降低。我们最近的工作是通过分子片段替换来提高大型系统的效率。在本文中,我们详细研究了盆地跳跃的两个组成部分,摄动和最小化,以及它们如何协同作用来影响近本地局部极小值的采样。我们表明,控制扰动跳跃的大小与有效地引导探索接近蛋白质天然状态的构象的能力有关。在最小化中,我们展示了一个简单的贪婪搜索和基于蒙特卡罗的最小化一样有效。最后,我们证明了基于Pareto锋的进化启发方法在减少采样的局部最小值集合方面特别有效,并获得了探测能量表面的更简单表示。
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引用次数: 20
Features for automated tongue image shape classification 特点自动舌图像形状分类
Pub Date : 2012-10-04 DOI: 10.1109/BIBMW.2012.6470316
Tayo Obafemi-Ajayi, R. Kanawong, Dong Xu, Shao Li, Y. Duan
Inspection of the tongue is a key component in Traditional Chinese Medicine. Chinese medical practitioners diagnose the health status of a patient based on observation of the color, shape, and texture characteristics of the tongue. The condition of the tongue can objectively reflect the presence of certain diseases and aid in the differentiation of syndromes, prognosis of disease and establishment of treatment methods. Tongue shape is a very important feature in tongue diagnosis. A different tongue shape other than ellipse could indicate presence of certain pathologies. In this paper, we propose a novel set of features, based on shape geometry and polynomial equations, for automated recognition and classification of the shape of a tongue image using supervised machine learning techniques. We also present a novel method to correct the orientation/deflection of the tongue based on the symmetry of axis detection method. Experimental results obtained on a set of 303 tongue images demonstrate that the proposed method improves the current state of the art method.
检查舌头是中医的一个重要组成部分。中医通过观察舌头的颜色、形状和质地特征来诊断病人的健康状况。舌的状态可以客观地反映某些疾病的存在,有助于辨证、预测疾病的预后和制定治疗方法。舌形是舌诊中一个非常重要的特征。不同的舌头形状而不是椭圆形可能表明存在某些疾病。在本文中,我们提出了一组新的特征,基于形状几何和多项式方程,用于使用监督机器学习技术对舌头图像的形状进行自动识别和分类。本文还提出了一种基于对称轴检测方法的舌向偏转校正方法。在一组303张舌图像上的实验结果表明,所提出的方法改进了目前的技术水平。
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引用次数: 14
De novo co-assembly of bacterial genomes from multiple single cells 来自多个单细胞的细菌基因组的从头共组装
Pub Date : 2012-10-04 DOI: 10.1109/BIBM.2012.6392618
Narjes S. Movahedi, Elmira Forouzmand, H. Chitsaz
Recent progress in DNA amplification techniques, particularly multiple displacement amplification (MDA), has made it possible to sequence and assemble bacterial genomes from a single cell. However, the quality of single cell genome assembly has not yet reached the quality of normal multiceli genome assembly due to the coverage bias and errors caused by MDA. Using a template of more than one cell for MDA or combining separate MDA products has been shown to improve the result of genome assembly from few single cells, but providing identical single cells, as a necessary step for these approaches, is a challenge. As a solution to this problem, we give an algorithm for de novo co-assembly of bacterial genomes from multiple single cells. Our novel method not only detects the outlier cells in a pool, it also identifies and eliminates their genomic sequences from the final assembly. Our proposed co-assembly algorithm is based on colored de Bruijn graph which has been recently proposed for de novo structural variation detection. Our results show that de novo co-assembly of bacterial genomes from multiple single cells outperforms single cell assembly of each individual one in all standard metrics. Moreover, co-assembly outperforms mixed assembly in which the input datasets are simply concatenated. We implemented our algorithm in a software tool called HyDA which is available from http://compbio.cs.wayne.edu/software/hyda.
DNA扩增技术的最新进展,特别是多位移扩增(MDA),使得从单个细胞中测序和组装细菌基因组成为可能。然而,由于MDA的覆盖偏倚和误差,单细胞基因组组装的质量还没有达到正常多染色体基因组组装的质量。使用一个以上细胞的MDA模板或组合单独的MDA产品已被证明可以改善从少数单细胞中组装基因组的结果,但是提供相同的单细胞,作为这些方法的必要步骤,是一个挑战。为了解决这一问题,我们提出了一种从多个单细胞中重新组装细菌基因组的算法。我们的新方法不仅可以检测池中的异常细胞,还可以从最终组装中识别和消除它们的基因组序列。我们提出的共装配算法是基于最近提出的用于从头结构变异检测的彩色德布鲁因图。我们的研究结果表明,在所有标准指标中,来自多个单细胞的细菌基因组的从头共组装优于每个个体的单细胞组装。此外,协同组装优于混合组装,其中输入数据集只是简单地连接。我们在一个名为HyDA的软件工具中实现了我们的算法,该工具可以从http://compbio.cs.wayne.edu/software/hyda获得。
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引用次数: 28
期刊
2012 IEEE International Conference on Bioinformatics and Biomedicine Workshops
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