Institute for Applied Cancer Science, MD Anderson Cancer Center, Houston, TX, USA.
Department of Chemistry-BMC, Uppsala University, Uppsala, Sweden.
Drug Discov Today. 2022 Apr;27(4):967-984. doi: 10.1016/j.drudis.2021.11.023. Epub 2021 Nov 25.
Artificial intelligence (AI) is becoming an integral part of drug discovery. It has the potential to deliver across the drug discovery and development value chain, starting from target identification and reaching through clinical development. In this review, we provide an overview of current AI technologies and a glimpse of how AI is reimagining preclinical drug discovery by highlighting examples where AI has made a real impact. Considering the excitement and hyperbole surrounding AI in drug discovery, we aim to present a realistic view by discussing both opportunities and challenges in adopting AI in drug discovery.
人工智能（AI）正成为药物发现不可或缺的一部分。它有可能在药物发现和开发的整个价值链中发挥作用，从目标识别一直延伸到临床开发。在这篇综述中，我们提供了当前 AI 技术的概述，并通过突出 AI 在实际产生影响的例子，展望了 AI 如何重新构想临床前药物发现。考虑到 AI 在药物发现中引起的兴奋和夸张，我们旨在通过讨论在药物发现中采用 AI 的机会和挑战，提供一个现实的观点。
