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A Principled Comparative Analysis of Dimensionality Reduction Techniques on Protein Structure Decoy Data

机译:蛋白质结构诱饵数据的维度降低技术的主要比较分析

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In this paper we investigate the utility of dimensionality reduction as a tool to analyze and simplify the structure space probed by de novo protein structure prediction methods. We conduct a principled comparative analysis in order to identify which techniques are effective and can be further used in decoy selection. The analysis allows drawing several interesting observations. For instance, many of the reportedly state-of-the-art non-linear dimensionality reduction techniques fare poorly and are outperformed by linear techniques that tend to have consistent performance across various protein structure data sets. The analysis in this paper is likely to open the way to new techniques that make use of the reduced dimensions to organize protein structure data so as to automatically detect the elusive native structure of a protein. We show some preliminary results in this direction.
机译:在本文中,我们研究了维数减少的实用性作为分析和简化De Novo蛋白质结构预测方法探测的结构空间的工具。 我们进行了一个原则的比较分析,以确定哪种技术有效,可以进一步用于诱饵选择。 分析允许绘制几个有趣的观察结果。 例如,据报道的许多最先进的非线性维度减少技术票价差,并且通过线性技术倾向于在各种蛋白质结构数据集中具有一致的性能。 本文的分析可能对利用减少尺寸来组织蛋白质结构数据的新技术进行分析,以便自动检测蛋白质的难以捉摸的天然结构。 我们在这个方向上显示了一些初步结果。

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