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基于多层特征选择的基于伽马分布的乳腺癌药物反应预测模型。

Gamma distribution based predicting model for breast cancer drug response based on multi-layer feature selection.

作者信息

Cui Tongtong, Wang Zeyuan, Gu Hong, Qin Pan, Wang Jia

机构信息

Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian, Liaoning, China.

Department of Breast Surgery, Second Hospital of Dalian Medical University, Dalian, Liaoning, China.

出版信息

Front Genet. 2023 Feb 2;14:1095976. doi: 10.3389/fgene.2023.1095976. eCollection 2023.

DOI:10.3389/fgene.2023.1095976
PMID:36816042
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9932661/
Abstract

In the pursuit of precision medicine for cancer, a promising step is to predict drug response based on data mining, which can provide clinical decision support for cancer patients. Although some machine learning methods for predicting drug response from genomic data already exist, most of them focus on point prediction, which cannot reveal the distribution of predicted results. In this paper, we propose a three-layer feature selection combined with a gamma distribution based GLM and a two-layer feature selection combined with an ANN. The two regression methods are applied to the Encyclopedia of Cancer Cell Lines (CCLE) and the Cancer Drug Sensitivity Genomics (GDSC) datasets. Using ten-fold cross-validation, our methods achieve higher accuracy on anticancer drug response prediction compared to existing methods, with an and RMSE of 0.87 and 0.53, respectively. Through data validation, the significance of assessing the reliability of predictions by predicting confidence intervals and its role in personalized medicine are illustrated. The correlation analysis of the genes selected from the three layers of features also shows the effectiveness of our proposed methods.

摘要

在追求癌症精准医疗的过程中,一个有前景的步骤是基于数据挖掘来预测药物反应,这可为癌症患者提供临床决策支持。尽管已经存在一些从基因组数据预测药物反应的机器学习方法,但它们大多侧重于点预测,无法揭示预测结果的分布情况。在本文中,我们提出了一种结合基于伽马分布的广义线性模型的三层特征选择方法以及一种结合人工神经网络的两层特征选择方法。这两种回归方法被应用于癌细胞系百科全书(CCLE)和癌症药物敏感性基因组学(GDSC)数据集。使用十折交叉验证,我们的方法在抗癌药物反应预测方面比现有方法具有更高的准确性,其 和均方根误差(RMSE)分别为0.87和0.53。通过数据验证,说明了通过预测置信区间评估预测可靠性的重要性及其在个性化医疗中的作用。从三层特征中选择的基因的相关性分析也表明了我们所提出方法的有效性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/40b40761887a/fgene-14-1095976-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/e31c9ef294d6/fgene-14-1095976-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/20075fff1a1c/fgene-14-1095976-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/02cfb43d4132/fgene-14-1095976-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/b74bf87574c8/fgene-14-1095976-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/7d00e76ea9cf/fgene-14-1095976-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/40b40761887a/fgene-14-1095976-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/e31c9ef294d6/fgene-14-1095976-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/20075fff1a1c/fgene-14-1095976-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/02cfb43d4132/fgene-14-1095976-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/b74bf87574c8/fgene-14-1095976-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/7d00e76ea9cf/fgene-14-1095976-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7abc/9932661/40b40761887a/fgene-14-1095976-g006.jpg

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本文引用的文献

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Machine Learning Applications in Drug Repurposing.机器学习在药物再利用中的应用。
Interdiscip Sci. 2022 Mar;14(1):15-21. doi: 10.1007/s12539-021-00487-8. Epub 2022 Jan 23.
2
Predicting Synergism of Cancer Drug Combinations Using NCI-ALMANAC Data.利用美国国立癌症研究所-ALMANAC数据预测癌症药物组合的协同作用
Front Chem. 2019 Jul 16;7:509. doi: 10.3389/fchem.2019.00509. eCollection 2019.
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Autoencoder Based Feature Selection Method for Classification of Anticancer Drug Response.基于自动编码器的抗癌药物反应分类特征选择方法
Front Genet. 2019 Mar 27;10:233. doi: 10.3389/fgene.2019.00233. eCollection 2019.
4
Comprehensive anticancer drug response prediction based on a simple cell line-drug complex network model.基于简单的细胞系-药物复合物网络模型的全面抗癌药物反应预测。
BMC Bioinformatics. 2019 Jan 22;20(1):44. doi: 10.1186/s12859-019-2608-9.
5
A quantile regression forest based method to predict drug response and assess prediction reliability.基于分位数回归森林的药物反应预测方法及其预测可靠性评估。
PLoS One. 2018 Oct 5;13(10):e0205155. doi: 10.1371/journal.pone.0205155. eCollection 2018.
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Current Trends in Drug Sensitivity Prediction.药物敏感性预测的当前趋势
Curr Pharm Des. 2016;22(46):6918-6927. doi: 10.2174/1381612822666161026154430.
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Individualized network-based drug repositioning infrastructure for precision oncology in the panomics era.泛组学时代用于精准肿瘤学的基于个性化网络的药物重新定位基础设施。
Brief Bioinform. 2017 Jul 1;18(4):682-697. doi: 10.1093/bib/bbw051.
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Predicting Anticancer Drug Responses Using a Dual-Layer Integrated Cell Line-Drug Network Model.使用双层集成细胞系-药物网络模型预测抗癌药物反应
PLoS Comput Biol. 2015 Sep 29;11(9):e1004498. doi: 10.1371/journal.pcbi.1004498. eCollection 2015.
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Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.利用NCI60癌细胞系面板改进大规模生长抑制模式预测。
Bioinformatics. 2016 Jan 1;32(1):85-95. doi: 10.1093/bioinformatics/btv529. Epub 2015 Sep 8.
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Improving Drug Sensitivity Prediction Using Different Types of Data.利用不同类型数据改进药物敏感性预测
CPT Pharmacometrics Syst Pharmacol. 2015 Feb;4(2):e2. doi: 10.1002/psp4.2. Epub 2015 Feb 18.