蛋白质二面角预测的特征选择

Z. Aydın, O. Kaynar, Yasin Görmez
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引用次数: 0

摘要

三维结构预测在生物信息学和理论化学中具有重要意义。三维结构预测的主要步骤之一是二面体(扭转)角预测。随着新的特征提取方法的发展,输入空间的维数大大增加,导致模型训练时间更长,并且由于噪声或冗余特征而导致模型精度降低。在本研究中,特征选择被用于降维的蛋白质一维结构预测的既定基准之一。实验结果表明,使用随机森林分类器进行蛋白质二面角分类预测时,特征选择的准确率提高了2%,可消除高达82%的特征。准确的二面角预测将最终有助于蛋白质结构的预测。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Feature selection for protein dihedral angle prediction
Three-dimensional structure prediction has crucial importance for bioinformatics and theoretical chemistry. One of the main steps of three-dimensional structure prediction is dihedral (torsion) angle prediction. As new feature extraction methods are developed the dimension of the input space increases considerably yielding longer model training and less accurate models due to noisy or redundant features. In this study, feature selection is employed for dimensionality reduction on one of the established benchmarks of protein 1D structure prediction. Experimental results show that the feature selection improves the accuracy of protein dihedral angle class prediction by 2% and can eliminate up to %82 of the features when random forest classifier is used. Accurate prediction of dihedral angles will eventually contribute to protein structure prediction.
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