机器学习技术在蛋白质折叠识别问题中的性能

M. A. Khan, M. A. Khan, Z. Jan, Hamid Ali, Anwar M. Mirza
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引用次数: 6

摘要

在蛋白质折叠识别问题中,为给定的蛋白质分配一个折叠是一种努力,这在生物信息学领域具有实际意义,并且在新药的发现,蛋白质中氨基酸的个体含义以及特定蛋白质功能的改进等领域具有多种应用。本文研究了用于蛋白质折叠识别问题的各种机器学习技术,并将支持向量机(SVM)与径向基函数(RBF)核和多层感知器(MLP)在蛋白质折叠识别精度、10倍交叉验证精度和Kappa统计量等多项指标上进行了比较。这些技术在广泛的实验中应用于众所周知的蛋白质结构分类(SCOP)数据集。在本研究中,与支持向量机(SVM)相比,多层感知器(MLP)在SCOP数据集的单个蛋白质特征(C, S, H, P, V, Z)上显示出更好的准确性。MLP性能更好的一个合理原因是它使用了所有可用的数据进行分类,而支持向量机模型无法利用所有可用的数据。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Performance of Machine Learning Techniques in Protein Fold Recognition Problem
In protein fold recognition problem an effort is made to assign a fold to given proteins, this is of practical importance and has diverse application in the field of bioinformatics such as the discovery of new drugs, the individual implication of amino acid in a protein and bringing improvement in a specific protein function. In this paper, we have studied various machine learning techniques for protein fold recognition problem, and compared Support Vector Machine (SVM) with Radial Basis Function (RBF) kernel and Multilayer Perceptron (MLP) on a number of measures like the recognition accuracy of protein fold, the 10-fold cross validation accuracies and Kappa statistics. These techniques are applied to the well known Structural Classification of Proteins (SCOP) dataset in extensive experimentations. In this study Multilayer Perceptron (MLP) shows better accuracy on single protein feature (C, S, H, P, V, Z) of the SCOP dataset as compared to Support Vector Machine (SVM). A plausible reason of the better performance of MLP is that it uses all the available data for classification where as the SVM model cannot exploit all the available data.
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