Department of Pharmacy, "Drug Discovery" Laboratory, University of Napoli "Federico II", via D. Montesano 49, I-80131 Napoli, Italy.
Drug Discov Today. 2019 Oct;24(10):2017-2032. doi: 10.1016/j.drudis.2019.07.006. Epub 2019 Aug 1.
Artificial Intelligence (AI) is an area of computer science that simulates the structures and operating principles of the human brain. Machine learning (ML) belongs to the area of AI and endeavors to develop models from exposure to training data. Deep Learning (DL) is another subset of AI, where models represent geometric transformations over many different layers. This technology has shown tremendous potential in areas such as computer vision, speech recognition and natural language processing. More recently, DL has also been successfully applied in drug discovery. Here, I analyze several relevant DL applications and case studies, providing a detailed view of the current state-of-the-art in drug discovery and highlighting not only the problematic issues, but also the successes and opportunities for further advances.
人工智能（AI）是计算机科学的一个领域，模拟人脑的结构和运作原理。机器学习（ML）属于 AI 领域，致力于从训练数据中开发模型。深度学习（DL）是 AI 的另一个分支，其中的模型表示在许多不同层上的几何变换。这项技术在计算机视觉、语音识别和自然语言处理等领域显示出巨大的潜力。最近，DL 也成功应用于药物发现。在这里，我分析了几个相关的 DL 应用和案例研究，详细介绍了药物发现的最新技术现状，不仅突出了存在的问题，还强调了成功之处和进一步发展的机会。
