人工智能驱动的科学研究(AI for science,AI4S)技术在医疗领域展现出巨大的潜力和影响力,在计算医学思想指导下重新定义医学科学的研究范式.我们展望了 AI4S在医疗健康领域引导范式改变的主要技术趋势:知识驱动型AI4S通过大规模文献挖掘和数据整合成为理解疾病机制和开发新药的重要工具;数据驱动型AI4S则通过理解临床和人类相关组学数据,揭示个体差异和疾病机制,进而建立患者数字化孪生(digital twins)模型,支持以患者为中心的思想指导下的药物研发和个性化医疗.AI4S基于真实患者的数字孪生模型,开发模拟药物真实机制的"电子药物"(即药物的数字孪生).这种模型采用灵活策略,通过云端展开大规模虚拟临床试验评估药物疗效和安全性,随后理性开展真实临床试验.这一方法大幅降低药物临床研发成本并显著提高成功率.尽管AI4S技术面临着诸多挑战,包括数据规模、质量控制、模型可解释性、从科学到工程的转化过程以及监管方面的要求,但我们期待AI4S技术的应用改变药物研发和临床实践的范式,为医疗领域带来革命性的变革.这一变革不仅为医学科学的发展带来新的机遇和挑战,更重要的是,为人类提供了必要但个性化的健康保障.
Progress of artificial intelligence for science(AI4S)applications in drug development and clinical practice in the digital age
Artificial intelligence(AI)for science(AI4S)technology,the AI technology for scientific research,has shown tremendous potential and influence in the field of healthcare,redefining the research paradigm of medical science under the guidance of computational medicine.We reviewed the main technological trends of AI4S in reshaping healthcare paradigm:knowledge-driven AI,leveraging extensive literature mining and data integration,emerges an important tool for understanding disease mechanisms and facilitating novel drug development;data-driven AI,delving into clinical and human-related omics data,unveils individual variances and disease mechanisms,and further establishes patient-centric digital twins to guide drug development and personalized medicine.Meanwhile,based on authentic patient digital twin models,adaptable strategies are employed to further propel the development of"e-drugs"that mimic the authentic mechanisms.These digital twins of drugs are evaluated for drug efficacy and safety through large-scale cloud-based virtual clinical trials,and followed by rationally designed real-world clinical trials,thus notably reducing drug development costs and enhancing success rates.Despite encountering challenges such as data scale,quality control,model interpretability,the transition from science insights to engineering solutions,and regulatory hurdles,we anticipate the integration of AI4S technology to revolutionize drug development and clinical practices.This transformation brings revolutionary changes to the medical field,offering novel opportunities and challenges for the development of medical science,and more importantly,providing necessary but personalized healthcare solutions for humankind.
Artificial intelligence for sciencedigital twinselectronic drugsvirtual clinical trials