Nat Rev Drug Discov|AI如何应用于天然药物发现 2023年9月11日,来自芝加哥大学Duchossois Family研究所(DFI)的Michael W. Mullowney、英国格拉斯哥大学的Katherine R Duncan等研究人员在Nature Reviews Drug Discovery上发表了一篇题为“Artificial intelligence for natural product drug discovery”的综述。 综述介绍...
Drug Discov Today|AI在药物发现中的应用:海市蜃楼还是绿洲 2024年4月23日,来自印度德里大学的Aaftaab Sethi、Brijesh Rathi在Drug Discovery Today上发表社论Artificial intelligence in drug discovery: A mirage or an oasis?,探讨了人工智能在彻底改变药物发现方面的挑战和前景。 过去,计算方法改变了药物发现的许多...
2023年2月2日,意大利那不勒斯大学的Carmen Cerchia等人在Drug Discovery Today上发表文章New avenues in artificial-intelligence-assisted drug discovery。 作者讨论了人工智能辅助药物发现的当前最新技术、最近的应用,包括用于化学结构生成的生成模型、改善结合...
Artificial intelligence in drug discovery: how long before we see the real impact?R. Goodwin
Artificial intelligence in drug discovery: time for context Drug discovery, given its interdisciplinary nature, has always been driven by novel developments, whether in the physical sciences (such as organic synthesis) or in the biological sciences (such as the ability to sequence genomes or advances...
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 1: ways to make an impact, and why we are not there yet. Drug Discov. Today 26, 511–524 (2021). Article CAS PubMed Google Scholar Bender, A. & Cortés-Ciriano, I. Artificial intelligence in drug ...
2023年2月2日,意大利那不勒斯大学的 Carmen Cerchia 等人在 Drug Discovery Today上发表文章New avenues in artificial-intelligence-assisted drug discovery。 作者讨论了人工智能(AI)辅助药物发现的当前最新技术、最近的应用,包括用于化学结构生成的生成模型、改善结合亲和力和姿势预测的评分函数,以及协助参数化、特征化和...
Deep learning bears promise for drug discovery, including advanced image analysis, prediction of molecular structure and function, and automated generation of innovative chemical entities with bespoke properties. Despite the growing number of successful
Recently, using artificial intelligence (AI) in drug discovery has received much attention since it significantly shortens the time and cost of developing new drugs. Deep learning (DL)-based approaches are increasingly being used in all stages of drug development as DL technology advances, and drug...
Since the advance of AI,drug discoveryresearch has also been increasingly using machine learning applications. As one "Graph neural networks" (GNNs) provide one of several opportunities for such applications. They are adapted to predict, for example, how strongly a certain molecule binds to a targ...