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An improved ensemble learning method with SMOTE for protein interaction hot spots prediction

机译:SMOTE的改进的集成学习方法用于蛋白质相互作用热点预测

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In the protein-protein interactions, only a small subset of hot spot residues contributes significantly to the binding free energy. Therefore, there is an imbalance between the number of hot spots and non-hot spots. The prediction of hot spot residues is very important in the protein-protein interaction. This paper presents an improved ensemble learning method-Adaboost with SMOTE method to deal with the imbalanced data and predict protein hot spots in the latest database SKEMPI. Firstly, the amino acid information such as hydrophobicity of the amino acid and protein structural features is exacted. Then mRMR algorithm was used to select the features. Finally, the protein database is further handled by SMOTE to deal with the imbalance data, the protein hot spots are predicted by the ensemble learning method-Adaboost. Experimental results show that the proposed method has the ability to improve the predict accuracy.
机译:在蛋白质-蛋白质相互作用中,只有一小部分热点残基显着地促进了结合自由能。因此,热点和非热点的数量之间存在不平衡。热点残基的预测在蛋白质-蛋白质相互作用中非常重要。本文提出了一种改进的集成学习方法-Adaboost和SMOTE方法,以处理不平衡数据并预测最新数据库SKEMPI中的蛋白质热点。首先,精确掌握氨基酸信息,例如氨基酸的疏水性和蛋白质的结构特征。然后使用mRMR算法选择特征。最后,蛋白质数据库由SMOTE进一步处理以处理不平衡数据,并通过集成学习方法-Adaboost预测蛋白质热点。实验结果表明,该方法具有提高预测精度的能力。

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