来自杂志 Heliyon 的文献。
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李翛然 (2023-11-28 20:26):
#paper doi:10.1016/j.heliyon.2023.e17575 AI in drug discovery and its clinical relevance 一篇综述,这篇文章是近年来我觉得还不错的从临床角度介绍了一下目前AI制药行业的发展,基本上涵盖了几种AI的功能目标。 虽然能看出来作者的AI药物设计水平不够深入,但是不方案从这件事情的本院入手,即FDA的评审通过及临床角度来进行评价。 所以作为一个入门的综述还是非常好的,大家对这个行业感兴趣都可以看一看
IF:3.400Q1 Heliyon, 2023-Jul. DOI: 10.1016/j.heliyon.2023.e17575 PMID: 37396052
Abstract:
The COVID-19 pandemic has emphasized the need for novel drug discovery process. However, the journey from conceptualizing a drug to its eventual implementation in clinical settings is a long, complex, … >>>
The COVID-19 pandemic has emphasized the need for novel drug discovery process. However, the journey from conceptualizing a drug to its eventual implementation in clinical settings is a long, complex, and expensive process, with many potential points of failure. Over the past decade, a vast growth in medical information has coincided with advances in computational hardware (cloud computing, GPUs, and TPUs) and the rise of deep learning. Medical data generated from large molecular screening profiles, personal health or pathology records, and public health organizations could benefit from analysis by Artificial Intelligence (AI) approaches to speed up and prevent failures in the drug discovery pipeline. We present applications of AI at various stages of drug discovery pipelines, including the inherently computational approaches of design and prediction of a drug's likely properties. Open-source databases and AI-based software tools that facilitate drug design are discussed along with their associated problems of molecule representation, data collection, complexity, labeling, and disparities among labels. How contemporary AI methods, such as graph neural networks, reinforcement learning, and generated models, along with structure-based methods, (i.e., molecular dynamics simulations and molecular docking) can contribute to drug discovery applications and analysis of drug responses is also explored. Finally, recent developments and investments in AI-based start-up companies for biotechnology, drug design and their current progress, hopes and promotions are discussed in this article. <<<
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