Transforming drug discovery through the fusion of AI-driven analysis and protein micropatterning.

IF 4.9 2区 医学 Q1 PHARMACOLOGY & PHARMACY
Paul Roach
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引用次数: 0

Abstract

Introduction: Traditional drug discovery is hampered by high costs, long timelines, and low success rates due to inefficient screening and inadequate model systems. The convergence of artificial intelligence (AI) and functional protein micropatterning offers a novel paradigm to address these limitations by accelerating candidate identification and enhancing physiological relevance.

Areas covered: The purpose of this critical perspective is to provide the reader with the author's expert opinion on the convergence of AI and micropatterning, synthesizing current evidence and discussing future opportunities and limitations. The Web-of-Science and PubMed databases were used to collate information. Within this article, coverage is given to the recent advances in combining machine learning and deep learning for efficient virtual screening, molecular design, and structural prediction with state-of-the-art protein micropatterning techniques that generate standardized, biomimetic assay platforms.

Expert opinion: The integration of automated imaging and AI-driven data analysis enables high-throughput, information-rich experimental workflows. Persistent challenges include explainable AI requirements, data quality, and evolving regulatory frameworks supporting non-animal models. These AI-enabled functional micropatterning platforms offer significant benefits for drug discovery. Over the next decade, advances in explainable AI and workflow automation will be essential for widespread adoption, regulatory acceptance, and the realization of closed-loop systems (AI-driven experimental iteration) that reshape pharmaceutical research by enabling close collaboration between scientists and intelligent technologies.

通过人工智能驱动的分析和蛋白质微模式的融合,改变药物发现。
传统的药物发现受到高成本、长时间和低成功率(由于筛选效率低下和模型系统不完善)的阻碍。人工智能(AI)和功能性蛋白质微模式的融合为解决这些限制提供了一种新的范式,可以加速候选物的识别和增强生理相关性。涵盖领域:这一批判性视角的目的是向读者提供作者关于人工智能和微模式融合的专家意见,综合当前证据并讨论未来的机会和局限性。使用Web-of-Science和PubMed数据库来整理信息。在本文中,介绍了将机器学习和深度学习结合起来进行高效虚拟筛选、分子设计和结构预测的最新进展,以及最先进的蛋白质微图技术,这些技术可以产生标准化的仿生分析平台。专家意见:自动化成像和人工智能驱动的数据分析的集成实现了高通量、信息丰富的实验工作流程。持续存在的挑战包括可解释的人工智能需求、数据质量以及支持非动物模型的不断发展的监管框架。这些人工智能支持的功能性微模式平台为药物发现提供了显著的好处。在接下来的十年里,可解释的人工智能和工作流程自动化的进步对于广泛采用、监管接受和实现闭环系统(人工智能驱动的实验迭代)至关重要,闭环系统通过实现科学家和智能技术之间的密切合作来重塑制药研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
10.20
自引率
1.60%
发文量
78
审稿时长
6-12 weeks
期刊介绍: Expert Opinion on Drug Discovery (ISSN 1746-0441 [print], 1746-045X [electronic]) is a MEDLINE-indexed, peer-reviewed, international journal publishing review articles on novel technologies involved in the drug discovery process, leading to new leads and reduced attrition rates. Each article is structured to incorporate the author’s own expert opinion on the scope for future development. The Editors welcome: Reviews covering chemoinformatics; bioinformatics; assay development; novel screening technologies; in vitro/in vivo models; structure-based drug design; systems biology Drug Case Histories examining the steps involved in the preclinical and clinical development of a particular drug The audience consists of scientists and managers in the healthcare and pharmaceutical industry, academic pharmaceutical scientists and other closely related professionals looking to enhance the success of their drug candidates through optimisation at the preclinical level.
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