利用有效的特征建模和机器学习技术预测蛋白质二级结构类

Sanjay S. Bankapur, Nagamma Patil
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引用次数: 9

摘要

蛋白质二级结构类(PSSC)预测是发现其进一步折叠、三级结构和功能的重要步骤,从而在药物开发中具有潜在的应用前景。目前已经开发了多种计算方法来预测PSSC,但是基于蛋白质序列预测PSSC仍然是一项具有挑战性的任务。在本研究中,我们提出了一种使用两种技术提取特征的有效方法:(i) SkipXGram双图:其中跳过的双图特征被提取;(ii)字符嵌入特征:其中使用词嵌入方法提取特征。使用各种机器学习分类器对所提出的特征建模方法的组合特征集进行了探索。性能最好的分类器(即随机森林)是针对最先进的PSSC预测模型进行基准测试的。在25PDB和FC699两个低序列相似性基准数据集上对该模型进行了评估。性能分析表明,对于25PDB和FC699数据集,所提出的模型的性能始终优于最先进的模型,分别高出3%至23%和4%至6%。
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Protein Secondary Structural Class Prediction Using Effective Feature Modeling and Machine Learning Techniques
Protein Secondary Structural Class (PSSC) prediction is an important step to find its further folds, tertiary structure and functions, which in turn have potential applications in drug discovery. Various computational methods have been developed to predict the PSSC, however, predicting PSSC on the basis of protein sequences is still a challenging task. In this study, we propose an effective approach to extract features using two techniques (i) SkipXGram bi-gram: in which skipped bi-gram features are extracted and (ii) Character embedded features: in which features are extracted using word embedding approach. The combined feature sets from the proposed feature modeling approach are explored using various machine learning classifiers. The best performing classifier (i.e. Random Forest) is benchmarked against state-of-the-art PSSC prediction models. The proposed model was assessed on two low sequence similarity benchmark datasets i.e. 25PDB and FC699. The performance analysis demonstrates that the proposed model consistently outperformed state-of-the-art models by a factor of 3% to 23% and 4% to 6% for 25PDB and FC699 datasets respectively.
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