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利用组合特征预测细胞壁裂解酶

Predicting Cell Wall Lytic Enzymes Using Combined Features.

作者信息

Jing Xiao-Yang, Li Feng-Min

机构信息

College of Science, Inner Mongolia Agricultural University, Hohhot, China.

出版信息

Front Bioeng Biotechnol. 2021 Jan 6;8:627335. doi: 10.3389/fbioe.2020.627335. eCollection 2020.

Abstract

Due to the overuse of antibiotics, people are worried that existing antibiotics will become ineffective against pathogens with the rapid rise of antibiotic-resistant strains. The use of cell wall lytic enzymes to destroy bacteria has become a viable alternative to avoid the crisis of antimicrobial resistance. In this paper, an improved method for cell wall lytic enzymes prediction was proposed and the amino acid composition (AAC), the dipeptide composition (DC), the position-specific score matrix auto-covariance (PSSM-AC), and the auto-covariance average chemical shift (acACS) were selected to predict the cell wall lytic enzymes with support vector machine (SVM). In order to overcome the imbalanced data classification problems and remove redundant or irrelevant features, the synthetic minority over-sampling technique (SMOTE) was used to balance the dataset. The F-score was used to select features. The S , S , MCC, and Acc were 99.35%, 99.02%, 0.98, and 99.19% with jackknife test using the optimized combination feature AAC+DC+acACS+PSSM-AC. The S , S , MCC, and Acc of cell wall lytic enzymes in our predictive model were higher than those in existing methods. This improved method may be helpful for protein function prediction.

摘要

由于抗生素的过度使用,随着抗生素耐药菌株的迅速增加,人们担心现有的抗生素对病原体将变得无效。使用细胞壁裂解酶来破坏细菌已成为避免抗微生物药物耐药性危机的一种可行替代方法。本文提出了一种改进的细胞壁裂解酶预测方法,并选择氨基酸组成(AAC)、二肽组成(DC)、位置特异性得分矩阵自协方差(PSSM-AC)和自协方差平均化学位移(acACS),利用支持向量机(SVM)预测细胞壁裂解酶。为了克服数据分类不平衡问题并去除冗余或不相关特征,采用合成少数类过采样技术(SMOTE)来平衡数据集。使用F分数来选择特征。使用优化组合特征AAC+DC+acACS+PSSM-AC进行留一法检验时,灵敏度(S )、特异性(S )、马修斯相关系数(MCC)和准确率(Acc)分别为99.35%、99.02%、0.98和99.19%。我们预测模型中细胞壁裂解酶的S 、S 、MCC和Acc高于现有方法中的相应值。这种改进方法可能有助于蛋白质功能预测。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3a9/7874139/4adfc05e6edb/fbioe-08-627335-g001.jpg

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