深度学习驱动的药物发现:策略、工具与应用综述。
A Review on Deep Learning-driven Drug Discovery: Strategies, Tools and Applications.
机构信息
Department of Biochemistry, Biotechnology and Bioinformatics, Avinashilingam Institute for Home Science and Higher Education for Women, Coimbatore, Tamil Nadu, India.
出版信息
Curr Pharm Des. 2023 May 19;29(13):1013-1025. doi: 10.2174/1381612829666230412084137.
It takes an average of 10-15 years to uncover and develop a new drug, and the process is incredibly time-consuming, expensive, difficult, and ineffective. In recent years the dramatic changes in the field of artificial intelligence (AI) have helped to overcome the challenges in the drug discovery pipeline. Artificial intelligence (AI) has taken root in various pharmaceutical sectors, from lead compound identification to clinical trials. Deep learning (DL) is a component of artificial intelligence (AI) that has excelled in many fields of Artificial intelligence (AI) research over the past decades. Its numerous applications in the realms of science and technology, especially in biomedicine and bioinformatics, are witnessed deep learning (DL) applications significantly accelerate drug discovery and pharmaceutical research in recent years, and their usefulness has exceeded expectations and shown good promise in tackling a range of issues with drug discovery. Deep learning (DL) holds great potential for drug development since it allows for sophisticated image interpretation, molecular structure and function prediction, and the automated creation of novel chemical entities with specific features. In the process of drug discovery, deep learning (DL) can be incorporated at all stages like identification of targets, prognostic biomarkers, drug designing and development, synergism and antagonism prediction, etc. This review summarizes various approaches of deep learning (DL) in drug discovery like deep generative models for drug discovery, deep learning (DL) tools for drug discovery, synergy prediction, and precision medicine.
开发一种新药平均需要 10-15 年的时间,这个过程非常耗时、昂贵、困难且低效。近年来,人工智能(AI)领域的巨大变化有助于克服药物发现管道中的挑战。人工智能(AI)已经扎根于各个制药领域,从先导化合物的识别到临床试验。深度学习(DL)是人工智能(AI)的一个组成部分,在过去几十年的人工智能(AI)研究的许多领域都表现出色。它在科学和技术领域的众多应用,特别是在生物医学和生物信息学领域,见证了深度学习(DL)在近年来显著加速了药物发现和药物研究,其在解决药物发现中的一系列问题方面的有效性超出了预期,前景看好。深度学习(DL)在药物开发中具有很大的潜力,因为它允许进行复杂的图像解释、分子结构和功能预测,以及具有特定特征的新型化学实体的自动创建。在药物发现过程中,可以在各个阶段(如靶点识别、预后生物标志物、药物设计和开发、协同作用和拮抗作用预测等)都纳入深度学习(DL)。这篇综述总结了药物发现中深度学习(DL)的各种方法,如药物发现的深度生成模型、药物发现的深度学习(DL)工具、协同作用预测和精准医学。