深度学习模型在药物组合协同效应预测的应用

    Utilization of Deep Learning Models for Predicting the Synergistic Effects of Drug Combinations

    • 摘要: 通过药物组合综合治疗疾病被广泛认为是一种有效方法,但现有药物组合的发现多依靠于剂量效应下针对药物靶点谱及细胞系的筛选,存在对时间、金钱和人力资源上极大程度的浪费。深度学习模型被应用于预测药物组合的协同效应,以提高治疗效果并减少不良反应,逐渐成为预测药物组合及其效应的一种机器学习手段。本文从多模型角度对基于深度学习的药物组合协同效应预测进行综述,重点讨论各种深度学习模型在药物预测方面具有的优势及局限性,并对相关评估指标进行综合评价。这些方法不仅展现人工智能技术的前沿性和广泛性,一定程度规避剂量效应带来的影响,同时还为中医药提供新的启示,表明利用现代科技手段解析传统药物组合的科学内涵,有望促进中医药的现代化发展。

       

      Abstract: The comprehensive treatment of diseases through drug combinations is widely recognized as effective. However, current methods for discovering drug combinations primarily rely on screening drug target profiles and cell lines under dose-dependent conditions, which can be time-consuming, costly, and resource-intensive. Deep learning models have been introduced to predict the synergistic effects of drug combinations, offering improvements in therapeutic outcomes and reductions in side effects. These models have gradually become a key tool in predicting drug combinations and their efficacy. This article reviews deep learning-based approaches for predicting synergistic drug combinations, highlighting the strengths and limitations of various models and evaluating relevant performance metrics. These advanced methods not only demonstrate the cutting-edge potential of artificial intelligence in drug discovery but also offer new insights into traditional Chinese medicine, suggesting that modern technological approaches could unravel the complexities of traditional medicine combinations and support its modernization.

       

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