ACS Publications

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.

For details:

James J. Douglas,* Andrew D. Campbell,* David Buttar, Gary Fairley, Magnus J. Johansson, Allyson C. Mcintyre, Anthony J. Metrano, Richard S. Morales, Rachel H. Munday, Thanh V. Q. Nguyen, Samantha Staniland, Michele Tavanti, Erik Weis, Simon D. Yates, and Zirong Zhang

James J. Douglas − Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield ACS Catalysis SK10 2NA, United Kingdom; orcid.org/0000-0002-9681- 0459;
Andrew D. Campbell − Chemical Development, Pharmaceutical Technology & Development, Operations, AstraZeneca, Macclesfield SK10 2NA, United Kingdom;
David Buttar − Data Science and Modelling, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield SK10 2NA, United Kingdom;
Gary Fairley−Oncology R&D, AstraZeneca, Macclesfield SK10 2NA, United Kingdom; 
Magnus J. Johansson − Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism, Biopharmaceuticals R&D, AstraZeneca, Mölndal 431 50 Gothenburg, Sweden; 
Allyson C. Mcintyre − Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield SK10 2NA, United Kingdom;
Anthony J. Metrano − Oncology R&D, AstraZeneca, Waltham, Massachusetts 02451, United States; 
Richard S. Morales − Oncology R&D, AstraZeneca, Waltham, Massachusetts 02451, United States; 
Rachel H. Munday − Chemical Development, Pharmaceutical Technology & Development, Operations, AstraZeneca, Macclesfield SK10 2NA, United Kingdom; 
Thanh V. Q. Nguyen − Medicinal Chemistry, Research and Early Development, Respiratory and Immunology, Biopharmaceuticals R&D, AstraZeneca, Mölndal 431 50 Gothenburg, Sweden;
Samantha Staniland − Oncology R&D, AstraZeneca, Cambridge CB2 0AA, United Kingdom; 
Michele Tavanti − Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Cambridge CB2 0AA, United Kingdom; 
Erik Weis − Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism, Biopharmaceuticals R&D, AstraZeneca, Mölndal 431 50 Gothenburg, Sweden; 
Simon D. Yates − Early Chemical Development, Pharmaceutical Sciences, R&D, AstraZeneca, Macclesfield SK10 2NA, United Kingdom; 
Zirong Zhang − Oncology R&D, AstraZeneca, Waltham, Massachusetts 02451, United States

DOI: https://doi.org/10.1021/acscatal.4c07969

Contact us to learn more about this exciting publication:

https://www.chemspeed.com/contact-us/