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基于多组学融合和图卷积的药物反应预测。

Predicting Drug Response Based on Multi-Omics Fusion and Graph Convolution.

出版信息

IEEE J Biomed Health Inform. 2022 Mar;26(3):1384-1393. doi: 10.1109/JBHI.2021.3102186. Epub 2022 Mar 7.

DOI:10.1109/JBHI.2021.3102186
PMID:34347616
Abstract

Different cancer patients may respond differently to cancer treatment due to the heterogeneity of cancer. It is an urgent task to develop an efficient computational method to identify drug responses in different cell lines, which guides us to design personalized therapy for an individual patient. Hence, we propose an end-to-end algorithm, namely MOFGCN, to predict drug response in cell lines based on Multi-Omics Fusion and Graph Convolution Network. MOFGCN first fuses multiple omics data to calculate the cell line similarity and then constructs a heterogeneous network by combining the cell line similarity, drug similarity, and the known cell line-drug associations. Secondly, it learns the latent features for cancer cell lines and drugs by performing graph convolution operations on the heterogeneous network. Finally, MOFGCN applies the linear correlation coefficient to reconstruct the cancer cell line-drug correlation matrix to predict drug sensitivity. To our knowledge, this is the first attempt to combine graph convolutional neural network and linear correlation coefficient for this significant task. We performed extensive evaluation experiments on the Genomics of Drug Sensitivity in Cancer (GDSC) and Cancer Cell Line Encyclopedia (CCLE) databases to validate MOFGCN's performance. The experimental results show that MOFGCN is superior to the state-of-the-art algorithms in predicting missing drug responses. It also leads to higher performance in predicting drug responses for new cell lines, new drugs, and targeted drugs.

摘要

不同的癌症患者对癌症治疗的反应可能不同,这是由于癌症的异质性造成的。开发一种有效的计算方法来识别不同细胞系中的药物反应是当务之急,这可以指导我们为个体患者设计个性化治疗方案。因此,我们提出了一种端到端算法,即 MOFGCN,用于基于多组学融合和图卷积网络预测细胞系中的药物反应。MOFGCN 首先融合多种组学数据来计算细胞系相似性,然后通过结合细胞系相似性、药物相似性和已知的细胞系-药物关联来构建异构网络。其次,它通过在异构网络上执行图卷积操作来学习癌症细胞系和药物的潜在特征。最后,MOFGCN 应用线性相关系数来重构癌症细胞系-药物相关矩阵,以预测药物敏感性。据我们所知,这是首次尝试将图卷积神经网络和线性相关系数应用于这项重要任务。我们在 Genomics of Drug Sensitivity in Cancer (GDSC) 和 Cancer Cell Line Encyclopedia (CCLE) 数据库上进行了广泛的评估实验,以验证 MOFGCN 的性能。实验结果表明,MOFGCN 在预测缺失的药物反应方面优于最先进的算法。它还在预测新细胞系、新药物和靶向药物的药物反应方面表现出更高的性能。

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