Fu Chen, Chen Qiuchen
Department of Pharmacology, School of Pharmacy, China Medical University, Shenyang, 110122, China.
Pharmaceutical Sciences Laboratory Center, School of Pharmacy, China Medical University, Shenyang, 110122, China.
J Pharm Anal. 2025 Aug;15(8):101248. doi: 10.1016/j.jpha.2025.101248. Epub 2025 Feb 26.
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.
人工智能(AI)正在通过无缝整合数据、计算能力和算法,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。与机器学习(ML)和深度学习(DL)相结合,AI在各个领域都取得了重大进展,包括药物表征、靶点发现与验证、小分子药物设计以及临床试验的加速。通过分子生成技术,AI有助于创造新型药物分子,预测其性质和活性,同时虚拟筛选(VS)优化候选药物。此外,AI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,AI在药物开发中的应用面临挑战,包括需要强大的数据共享机制以及为算法建立更全面的知识产权保护。由AI驱动的制药公司还必须有效地整合生物科学和算法,确保湿实验室和干实验室实验的成功融合。尽管存在这些挑战,AI在药物开发中的潜力仍然不可否认。随着AI技术的发展以及这些障碍得到解决,AI驱动的疗法在制药行业有望迎来更广阔、更具影响力的未来。