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Analysis of Protein Sequences and Chemical Structures Using Support Vector Machines

机译:使用支持向量机分析蛋白质序列和化学结构

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摘要

Support vector machines (SVMs) are becoming a standard tool in bioinformatics, where SVM is a kind of machine learning algorithm developed in 1990's. Indeed, SVMs have been applied to many important problems in bioinformatics, which include motif detection, protein secondary structure prediction, fold recognition, protein subcellular localization prediction, prediction of protein-protein interaction, and microarray data analysis. There are two phases for using an SVM: training and prediction. In thetraining phase, training data are given as points in the Euclidian space where each point corresponds to an object (e.g., a protein sequence) and is labeled as either positive or negative (see Fig.1). Then, a hyperplane (e.g., line in 2-diemnsional caseand plane in 3-dimensional case) separating positive training data and negative training data in some optimal way is computed. In the prediction phase, each object is also given as a point without label. If the point lies above the hyperplane, this object is predicted as positive. Otherwise, it is predicted as negative. Though an SVM is basically capable of binary classification only, multiple classes can be handled by combining multiple SVMs. One of the important points is that several efficient SVM programs are available free-of-charge at least for academic use and these are very easy to use.
机译:支持向量机(SVM)正在成为生物信息学中的标准工具,其中SVM是1990年代开发的一种机器学习算法。实际上,支持向量机已应用于生物信息学中的许多重要问题,包括基序检测,蛋白质二级结构预测,折叠识别,蛋白质亚细胞定位预测,蛋白质-蛋白质相互作用的预测以及微阵列数据分析。使用SVM分为两个阶段:训练和预测。在训练阶段,训练数据以欧几里得空间中的点给出,其中每个点对应于一个对象(例如蛋白质序列),并被标记为阳性或阴性(见图1)。然后,计算以某种最佳方式将正训练数据和负训练数据分开的超平面(例如,两维情况下的线和三维情况下的平面)。在预测阶段,每个对象也被指定为没有标签的点。如果该点位于超平面之上,则该对象被预测为正。否则,它被预测为负。尽管SVM基本上只能进行二进制分类,但是可以通过组合多个SVM来处理多个类。重要的一点之一是,至少在学术上免费提供了几个有效的SVM程序,这些程序非常易于使用。

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