AmPEP: Sequence-based prediction of antimicrobial peptides using distribution patterns of amino acid properties and random forest.

AmPEP: Sequence-based prediction of antimicrobial peptides using distribution patterns of amino acid properties and random forest.
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AMPEP:使用氨基酸特性和随机森林的分布模式对基于序列的抗菌肽的预测。

DOI:
10.1038/s41598-018-19752-w
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发表时间:
2018-01-26
期刊:
影响因子:
4.6
通讯作者:
Siu SWI
Siu SWI
中科院分区:
综合性期刊3区
文献类型:
--
作者:
Bhadra P;Yan J;Li J;Fong S;Siu SWI

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抗菌肽(Antimicrobial peptides,AMP)具有广谱、低毒等特点,在抗多药耐药病原菌的研究中具有广阔的应用前景。尽管如此,通过湿实验室实验鉴定AMP仍然是昂贵和耗时的。在这里,我们提出了一个准确的计算方法AMP预测的随机森林算法。预测模型是基于氨基酸性质沿序列的分布模式沿着。使用我们收集的大量不同的AMP和非AMP数据集(分别为3268和166791个序列),我们通过10倍交叉验证评估了19个具有不同正负数据比率的随机森林分类器。我们的最佳模型,AmPEP与1:3的数据比,显示出高准确性(96%),马修的相关系数(MCC)为0.9,受试者工作特征曲线下的面积(AUC-ROC)为0.99,和Kappa统计量为0.9。描述符分析AMP/非AMP分布的皮尔逊相关系数的装置显示,减少的功能集(从一个全功能集105到最小的功能集23)可以导致在所有方面的性能相当,除了一些精度降低。此外,AmPEP在基准数据集上测试时,在准确性,MCC和AUC-ROC方面优于现有方法。
Antimicrobial peptides (AMPs) are promising candidates in the fight against multidrug-resistant pathogens owing to AMPs’ broad range of activities and low toxicity. Nonetheless, identification of AMPs through wet-lab experiments is still expensive and time consuming. Here, we propose an accurate computational method for AMP prediction by the random forest algorithm. The prediction model is based on the distribution patterns of amino acid properties along the sequence. Using our collection of large and diverse sets of AMP and non-AMP data (3268 and 166791 sequences, respectively), we evaluated 19 random forest classifiers with different positive:negative data ratios by 10-fold cross-validation. Our optimal model, AmPEP with the 1:3 data ratio, showed high accuracy (96%), Matthew’s correlation coefficient (MCC) of 0.9, area under the receiver operating characteristic curve (AUC-ROC) of 0.99, and the Kappa statistic of 0.9. Descriptor analysis of AMP/non-AMP distributions by means of Pearson correlation coefficients revealed that reduced feature sets (from a full-featured set of 105 to a minimal-feature set of 23) can result in comparable performance in all respects except for some reductions in precision. Furthermore, AmPEP outperformed existing methods in terms of accuracy, MCC, and AUC-ROC when tested on benchmark datasets.
DOI: 10.1007/s11227-015-1541-6
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期刊: Scientific reports
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