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

计算机科学 卷积(计算机科学) 药品 计算生物学 人工智能 药物反应 图形 人工神经网络 理论计算机科学 医学 生物 药理学
作者
Wei Peng,Tielin Chen,Wei Dai
出处
期刊:IEEE Journal of Biomedical and Health Informatics [Institute of Electrical and Electronics Engineers]
卷期号:26 (3): 1384-1393 被引量:99
标识
DOI:10.1109/jbhi.2021.3102186
摘要

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.
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