Computational Molecular Biology 2024, Vol.14, No.1, 9-19 http://bioscipublisher.com/index.php/cmb 9 Review and Progress Open Access Artificial Intelligence and Drug Design: Future Prospects and Ethical Considerations TaoChen Research Institute of Life Science, Jiyang College of Zhejiang A&F University, Zhuji, 311800, Zhejiang, China Corresponding email: 2693733238@qq.com Computational Molecular Biology, 2024, Vol.14, No.1 doi: 10.5376/cmb.2024.14.0002 Received: 4 Dec., 2023 Accepted: 7 Jan., 2024 Published: 18 Jan., 2024 Copyright ©2024 Chen, This is an open access article published under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. Preferred citation for this article: Chen T., 2024, Artificial intelligence and drug design: future prospects and ethical considerations, Computational Molecular Biology, 14(1): 9-19 (doi: 10.5376/cmb.2024.14.0002) Abstract The rapid advancement of science and technology, artificial intelligence (AI) has penetrated into many fields and shown its great potential. In the field of drug design, the application of AI is gradually changing the traditional research and development model. This study first introduces the applicability of AI technology in drug design and its application examples at each stage, and analyzes its important role in improving R&D efficiency and success rate. Subsequently, the article looks forward to the future prospects of AI and drug design, including technological innovation, development trends, challenges and opportunities, and proposes corresponding development strategies. However, the widespread application of AI has also triggered many ethical considerations, such as data privacy, algorithm transparency, and definition of ethical responsibilities, which need to be treated with caution while promoting technological development. Finally, this study highlights how the relationship between innovation and ethics should be balanced in future research and makes corresponding recommendations. Keywords Artificial intelligence; Drug design; R&D efficiency; Future prospects; Ethical considerations In an era of rapid technological advancement, artificial intelligence (AI) has undoubtedly emerged as one of the most innovative and promising technological forces in the world. The research by Mak et al. (2019) profoundly revealed the disruptive application of AI in many fields such as image recognition, natural language processing, and data analysis. It not only greatly improved production efficiency, but also gave birth to profound changes in many industries. Today, the wave of AI has swept across like a sudden storm to drug design and discovery, a holy land involving professional fields such as gene sequence analysis, molecular docking, and drug effect prediction. With its excellent computing power, the wisdom of deep learning and the accuracy of pattern recognition, AI provides a new perspective and tools for drug design. It uses machine learning algorithms to efficiently analyze massive biological data, and uses natural language processing technology to parse medical literature and research results, providing unprecedented possibilities for drug discovery (Srivastav a et al., 2023). Looking back at the initial involvement of AI in the field of drug design, it mainly focused on auxiliary calculations and simulation experiments. However, with the rapid advancement of cutting-edge technologies such as deep learning and machine learning, AI has been deeply involved in every aspect of drug design, from target identification to molecular screening to the optimization of clinical trials. Its presence can be seen everywhere. This transformation not only significantly shortens the drug development cycle and reduces research and development costs, but more importantly, AI, with its unique insights and computing power, assists scientists in discovering drug candidates that are difficult to reach with traditional methods, and provides a basis for overcoming complex diseases. Provides new opportunities and hopes (Singh et al., 2023). However, just as all technological progress is accompanied by ethical challenges, the application of AI in the field of drug design also faces many ethical dilemmas. Issues such as data privacy, algorithm transparency, and responsibility attribution have gradually surfaced, triggering widespread concern and in-depth discussions from all walks of life. Therefore, this study aims to comprehensively examine the current application status of AI in the field of drug design, look forward to future development trends, and deeply explore the accompanying ethical considerations, with a view to providing valuable reference and guidance for scholars and practitioners in related fields.
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