药物的未来:药物发现和开发中的人工智能。

IF 8.9
Journal of pharmaceutical analysis Pub Date : 2025-08-01 Epub Date: 2025-02-26 DOI:10.1016/j.jpha.2025.101248
Chen Fu, Qiuchen Chen
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引用次数: 0

摘要

人工智能(AI)通过无缝集成数据、计算能力和算法,正在彻底改变传统的药物发现和开发模式。这种协同作用提高了药物研究的效率、准确性和成功率,缩短了开发时间,并降低了成本。结合机器学习(ML)和深度学习(DL),人工智能在各个领域都取得了重大进展,包括药物表征、靶点发现和验证、小分子药物设计和加速临床试验。通过分子生成技术,人工智能促进了新药物分子的创建,预测了它们的性质和活性,而虚拟筛选(VS)优化了候选药物。此外,人工智能通过预测结果、设计试验和实现药物重新定位来提高临床试验效率。然而,人工智能在药物开发中的应用面临着挑战,包括需要强大的数据共享机制和建立更全面的算法知识产权保护。人工智能驱动的制药公司还必须有效地整合生物科学和算法,确保干湿实验室实验的成功融合。尽管存在这些挑战,人工智能在药物开发中的潜力仍然是不可否认的。随着人工智能技术的发展和这些障碍的解决,人工智能驱动的治疗方法将在制药行业获得更广泛、更有影响力的未来。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

The future of pharmaceuticals: Artificial intelligence in drug discovery and development.

The future of pharmaceuticals: Artificial intelligence in drug discovery and development.

The future of pharmaceuticals: Artificial intelligence in drug discovery and development.

The future of pharmaceuticals: Artificial intelligence in drug discovery and development.

Artificial Intelligence (AI) is revolutionizing traditional drug discovery and development models by seamlessly integrating data, computational power, and algorithms. This synergy enhances the efficiency, accuracy, and success rates of drug research, shortens development timelines, and reduces costs. Coupled with machine learning (ML) and deep learning (DL), AI has demonstrated significant advancements across various domains, including drug characterization, target discovery and validation, small molecule drug design, and the acceleration of clinical trials. Through molecular generation techniques, AI facilitates the creation of novel drug molecules, predicting their properties and activities, while virtual screening (VS) optimizes drug candidates. Additionally, AI enhances clinical trial efficiency by predicting outcomes, designing trials, and enabling drug repositioning. However, AI's application in drug development faces challenges, including the need for robust data-sharing mechanisms and the establishment of more comprehensive intellectual property protections for algorithms. AI-driven pharmaceutical companies must also integrate biological sciences and algorithms effectively, ensuring the successful fusion of wet and dry laboratory experiments. Despite these challenges, the potential of AI in drug development remains undeniable. As AI technology evolves and these barriers are addressed, AI-driven therapeutics are poised for a broader and more impactful future in the pharmaceutical industry.

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