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使用深度学习进行抗癌单药治疗和联合治疗药物反应预测:指南与最佳实践

Anticancer Monotherapy and Polytherapy Drug Response Prediction Using Deep Learning: Guidelines and Best Practices.

作者信息

Emad Amin, Hostallero David Earl

机构信息

Department of Electrical and Computer Engineering, McGill University, Montreal, QC, Canada.

Mila, Quebec AI Institute, Montreal, QC, Canada.

出版信息

Methods Mol Biol. 2025;2932:273-289. doi: 10.1007/978-1-0716-4566-6_15.

DOI:10.1007/978-1-0716-4566-6_15
PMID:40779116
Abstract

Cancer precision medicine aims to identify the best course of treatment for an individual. To achieve this goal, two important questions include predicting the response of an individual to a treatment strategy and identifying molecular markers that determine the response. The rapid growth of large publicly available databases containing clinical and molecular characteristics of cancer-derived samples paired with their response to single or multiple drugs, has enabled the development of computational models to answer these questions. In recent years, various deep learning models have been proposed to predict the response to polytherapy and monotherapies. However, selecting among all available options or developing new models for a particular study requires careful considerations and best practices to avoid various pitfalls. In this chapter, and drawing from our own studies, we will discuss various important points for choosing, utilizing, and developing such deep learning tools.

摘要

癌症精准医学旨在为个体确定最佳治疗方案。为实现这一目标,两个重要问题包括预测个体对治疗策略的反应以及识别决定反应的分子标志物。包含癌症衍生样本的临床和分子特征及其对单药或多药反应的大型公共可用数据库的快速增长,使得能够开发计算模型来回答这些问题。近年来,已经提出了各种深度学习模型来预测对多药疗法和单药疗法的反应。然而,在所有可用选项中进行选择或为特定研究开发新模型需要仔细考虑和最佳实践,以避免各种陷阱。在本章中,我们将借鉴自己的研究,讨论选择、使用和开发此类深度学习工具的各种要点。

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本文引用的文献

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Preclinical-to-clinical Anti-cancer Drug Response Prediction and Biomarker Identification Using TINDL.基于 TINDL 的临床前至临床抗肿瘤药物反应预测和生物标志物鉴定。
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Predicting Anticancer Drug Response With Deep Learning Constrained by Signaling Pathways.利用受信号通路约束的深度学习预测抗癌药物反应
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RAPPPID:利用 AWDLSTM 孪生网络进行可泛化的蛋白质交互预测。
Bioinformatics. 2022 Aug 10;38(16):3958-3967. doi: 10.1093/bioinformatics/btac429.
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Looking at the BiG picture: incorporating bipartite graphs in drug response prediction.着眼于大局:在药物反应预测中纳入二分图。
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Inference of phenotype-relevant transcriptional regulatory networks elucidates cancer type-specific regulatory mechanisms in a pan-cancer study.在泛癌研究中,推断与表型相关的转录调控网络阐明了癌症类型特异性的调控机制。
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DeepCDR: a hybrid graph convolutional network for predicting cancer drug response.DeepCDR:一种用于预测癌症药物反应的混合图卷积网络。
Bioinformatics. 2020 Dec 30;36(Suppl_2):i911-i918. doi: 10.1093/bioinformatics/btaa822.
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Predicting Drug Response and Synergy Using a Deep Learning Model of Human Cancer Cells.利用人类癌细胞深度学习模型预测药物反应和协同作用。
Cancer Cell. 2020 Nov 9;38(5):672-684.e6. doi: 10.1016/j.ccell.2020.09.014. Epub 2020 Oct 22.
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Pathway-Guided Deep Neural Network toward Interpretable and Predictive Modeling of Drug Sensitivity.基于通路的深度神经网络用于药物敏感性的可解释和预测建模。
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