iACP-GE:利用梯度增强决策树和额外树对抗癌肽进行准确鉴定。

IF 2.3 3区 环境科学与生态学 Q3 CHEMISTRY, MULTIDISCIPLINARY SAR and QSAR in Environmental Research Pub Date : 2023-01-01 DOI:10.1080/1062936X.2022.2160011
Y Liang, X Ma
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引用次数: 2

摘要

癌症是威胁人类生命的主要疾病之一,每年全世界有数百万人死于癌症。传统的物理和化学治疗癌症的方法非常耗时,实验室密集,昂贵,效率低下,难以实现高通量的应用。因此,开发能够快速准确识别抗癌肽的自动化计算方法是一项紧迫的任务。在本文中,我们建立了一个新的模型iACP-GE来识别acp。利用二值编码、基于N5C5序列的增强分组氨基酸组成和BLOSUM62编码,以及基于20种天然氨基酸理化性质的去趋势前向移动平均自相关分析,提取了多种特征。每个样本得到835个特征,为了避免信息冗余,采用梯度增强决策树作为特征选择策略。然后,将最优特征子集输入到额外的树分类器中。ACP740和ACP240数据集经5倍交叉验证的准确率分别为90.54%和91.25%。实验结果表明,iACP-GE在ACP740和ACP240数据集上的性能明显优于现有的几种模型,可以作为一种有效的acp识别工具。iACP-GE的数据集和源代码可在https://github.com/yunyunliang88/iACP-GE上获得。
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iACP-GE: accurate identification of anticancer peptides by using gradient boosting decision tree and extra tree.

Cancer is one of the main diseases threatening human life, accounting for millions of deaths around the world each year. Traditional physical and chemical methods for cancer treatment are extremely time-consuming, lab-intensive, expensive, inefficient and difficult to be applied in a high-throughput way. Hence, it is an urgent task to develop automated computational methods to enable fast and accurate identification of anticancer peptides (ACPs). In this paper, we develop a novel model named iACP-GE to identify ACPs. Multi-features are extracted by using binary encoding, enhanced grouped amino acid composition and BLOSUM62 encoding based on the N5C5 sequence, as well as detrended forward moving-average auto-cross correlation analysis based on physicochemical properties of 20 natural amino acids. Thus, 835 features are obtained for each sample, in order to avoid information redundancy, gradient boosting decision tree was adopted as the feature selection strategy. Then, the optimal feature subset is input to the extra tree classifier. The accuracies of ACP740 and ACP240 datasets with the 5-fold cross-validation were 90.54% and 91.25%, respectively. Experimental results indicate that iACP-GE significantly outperforms several existing models on ACP740 and ACP240 datasets and can be used as an effective tool for the identification of ACPs. The datasets and source codes for iACP-GE are available at https://github.com/yunyunliang88/iACP-GE.

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来源期刊
CiteScore
5.20
自引率
20.00%
发文量
78
审稿时长
>24 weeks
期刊介绍: SAR and QSAR in Environmental Research is an international journal welcoming papers on the fundamental and practical aspects of the structure-activity and structure-property relationships in the fields of environmental science, agrochemistry, toxicology, pharmacology and applied chemistry. A unique aspect of the journal is the focus on emerging techniques for the building of SAR and QSAR models in these widely varying fields. The scope of the journal includes, but is not limited to, the topics of topological and physicochemical descriptors, mathematical, statistical and graphical methods for data analysis, computer methods and programs, original applications and comparative studies. In addition to primary scientific papers, the journal contains reviews of books and software and news of conferences. Special issues on topics of current and widespread interest to the SAR and QSAR community will be published from time to time.
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