The Implementation and Impact of Chemical High-Throughput Experimentation at AstraZeneca

被引:0
|
作者
Douglas, James J. [1 ]
Campbell, Andrew D. [2 ]
Buttar, David [3 ]
Fairley, Gary [4 ]
Johansson, Magnus J. [5 ]
Mcintyre, Allyson C. [1 ]
Metrano, Anthony J. [6 ]
Morales, Richard S. [6 ]
Munday, Rachel H. [2 ]
Nguyen, Thanh V. Q. [7 ]
Staniland, Samantha [8 ]
Tavanti, Michele [9 ]
Weis, Erik [5 ]
Yates, Simon D. [1 ]
Zhang, Zirong [6 ]
机构
[1] AstraZeneca, Early Chem Dev, Pharmaceut Sci, R&D, Macclesfield SK10 2NA, England
[2] AstraZeneca, Chem Dev, Pharmaceut Technol & Dev, Operat, Macclesfield SK10 2NA, England
[3] AstraZeneca, Data Sci & Modelling, Pharmaceut Sci, R&D, Macclesfield SK10 2NA, England
[4] AstraZeneca, Oncol R&D, Macclesfield SK10 2NA, England
[5] AstraZeneca, Res & Early Dev, Cardiovasc Renal & Metab, Biopharmaceut R&D,Med Chem, S-43150 Gothenburg, Sweden
[6] AstraZeneca, Oncol R&D, Waltham, MA 02451 USA
[7] AstraZeneca, Res & Early Dev, Resp & Immunol, Biopharmaceut R&D,Med Chem, S-43150 Gothenburg, Sweden
[8] AstraZeneca, Oncol R&D, Cambridge CB2 0AA, England
[9] AstraZeneca, Early Chem Dev, Pharmaceut Sci, R&D, Cambridge CB2 0AA, England
来源
ACS CATALYSIS | 2025年 / 15卷 / 07期
关键词
High-Throughput Experimentation(HTE); Catalysis; Cross-Coupling; Biocatalysis; Analytical technology; Automation; Data Scienceand Modeling; LATE-STAGE DIVERSIFICATION; LIGAND KNOWLEDGE-BASE; IONIZATION MASS-SPECTROMETRY; COMPUTATIONAL DESCRIPTORS; CHELATING P; P-DONOR; ALPHA-ARYLATION; AUTOMATION; CHEMISTRY; EVOLUTION; EXPANSION;
D O I
10.1021/acscatal.4c07969
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
High-throughput experimentation (HTE) is a critical tool in modern pharmaceutical discovery and development. The ability to perform multiple parallel experiments in miniaturized plate-based formats has revolutionized how chemical reactions are optimized. HTE has been especially enabling for catalytic reactions, where the complexity of factors influencing the outcome makes the HTE approach especially suitable. We detail AstraZeneca's 20-year journey with HTE, from early beginnings to a global community of HTE specialists that are critical to the delivery of our complex portfolio with reduced environmental impact. With an emphasis on catalytic reactions, we provide relevant case study examples from across discovery and development, discuss current technology, data science and workflows, and provide insights into where we see future advances in HTE.
引用
收藏
页码:5229 / 5256
页数:28
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