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人工智能在药物研发中的作用:挑战、机遇与策略。

The Role of AI in Drug Discovery: Challenges, Opportunities, and Strategies.

作者信息

Blanco-González Alexandre, Cabezón Alfonso, Seco-González Alejandro, Conde-Torres Daniel, Antelo-Riveiro Paula, Piñeiro Ángel, Garcia-Fandino Rebeca

机构信息

Department of Organic Chemistry, Center for Research in Biological Chemistry and Molecular Materials, University of Santiago de Compostela, CIQUS, 15705 Santiago de Compostela, Spain.

Soft Matter & Molecular Biophysics Group, Department of Applied Physics, Faculty of Physics, University of Santiago de Compostela, 15705 Santiago de Compostela, Spain.

出版信息

Pharmaceuticals (Basel). 2023 Jun 18;16(6):891. doi: 10.3390/ph16060891.

Abstract

Artificial intelligence (AI) has the potential to revolutionize the drug discovery process, offering improved efficiency, accuracy, and speed. However, the successful application of AI is dependent on the availability of high-quality data, the addressing of ethical concerns, and the recognition of the limitations of AI-based approaches. In this article, the benefits, challenges, and drawbacks of AI in this field are reviewed, and possible strategies and approaches for overcoming the present obstacles are proposed. The use of data augmentation, explainable AI, and the integration of AI with traditional experimental methods, as well as the potential advantages of AI in pharmaceutical research, are also discussed. Overall, this review highlights the potential of AI in drug discovery and provides insights into the challenges and opportunities for realizing its potential in this field. : This article was created to test the ability of ChatGPT, a chatbot based on the GPT-3.5 language model, in terms of assisting human authors in writing review articles. The text generated by the AI following our instructions (see Supporting Information) was used as a starting point, and its ability to automatically generate content was evaluated. After conducting a thorough review, the human authors practically rewrote the manuscript, striving to maintain a balance between the original proposal and the scientific criteria. The advantages and limitations of using AI for this purpose are discussed in the last section.

摘要

人工智能(AI)有潜力彻底改变药物发现过程,提高效率、准确性和速度。然而,人工智能的成功应用取决于高质量数据的可用性、伦理问题的解决以及对基于人工智能方法局限性的认识。本文回顾了人工智能在该领域的益处、挑战和缺点,并提出了克服当前障碍的可能策略和方法。还讨论了数据增强、可解释人工智能以及人工智能与传统实验方法的整合,以及人工智能在药物研究中的潜在优势。总体而言,本综述突出了人工智能在药物发现中的潜力,并深入探讨了在该领域实现其潜力所面临的挑战和机遇。:本文旨在测试基于GPT-3.5语言模型的聊天机器人ChatGPT在协助人类作者撰写综述文章方面的能力。按照我们的指令由人工智能生成的文本(见支持信息)作为起点,并对其自动生成内容的能力进行了评估。经过全面审查后,人类作者实际重写了手稿,努力在原始提议和科学标准之间保持平衡。最后一部分讨论了为此目的使用人工智能的优点和局限性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6c6b/10302890/8518790159bf/pharmaceuticals-16-00891-g001.jpg

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