Automated LC-MS analysis and data extraction for high-throughput chemistry

J Mason, H Wilders, DJ Fallon, RP Thomas, JT Bush… - Digital …, 2023 - pubs.rsc.org
High-throughput experimentation for chemistry and chemical biology has emerged as a
highly impactful technology, particularly when applied to Direct-to-Biology. Analysis of the …

Ultrahigh-throughput experimentation for information-rich chemical synthesis

B Mahjour, Y Shen, T Cernak - Accounts of Chemical Research, 2021 - ACS Publications
Conspectus The incorporation of data science is revolutionizing organic chemistry. It is
becoming increasingly possible to predict reaction outcomes with accuracy, computationally …

MicroCycle: An Integrated and Automated Platform to Accelerate Drug Discovery

CE Brocklehurst, E Altmann, C Bon… - Journal of medicinal …, 2024 - ACS Publications
We herein describe the development and application of a modular technology platform
which incorporates recent advances in plate-based microscale chemistry, automated …

Automated high-throughput system combining small-scale synthesis with bioassays and reaction screening

NM Morato, MPT Le, DT Holden… - SLAS …, 2021 - journals.sagepub.com
The Purdue Make It system is a unique automated platform capable of small-scale in situ
synthesis, screening small-molecule reactions, and performing direct label-free bioassays …

Reaction Kinetics using a Chemputable Framework for Data Collection and Analysis

BM Matysiak, D Thomas, L Cronin - Angewandte Chemie, 2024 - Wiley Online Library
Automated chemistry platforms have been widely explored, but many focus on fixed tasks for
chemical synthesis or analysis. However, a typical synthetic chemistry workflow utilizes both …

Toward machine learning-enhanced high-throughput experimentation

NS Eyke, BA Koscher, KF Jensen - Trends in Chemistry, 2021 - cell.com
Recent literature suggests that the fields of machine learning (ML) and high-throughput
experimentation (HTE) have separately received considerable attention from chemists and …

A perspective on the analytical challenges encountered in high-throughput experimentation

R Grainger, S Whibley - Organic Process Research & …, 2021 - ACS Publications
High-throughput experimentation (HTE) is a well-established technique used in the
pharmaceutical industry to accelerate compound synthesis and route optimization through …

Open-source chromatographic data analysis for reaction optimization and screening

CP Haas, M Lubbesmeyer, EH Jin… - ACS Central …, 2023 - ACS Publications
Automation and digitalization solutions in the field of small molecule synthesis face new
challenges for chemical reaction analysis, especially in the field of high-performance liquid …

Recent advances in analytical techniques for high throughput experimentation

N Vervoort, K Goossens, M Baeten… - Analytical Science …, 2021 - Wiley Online Library
High throughput experimentation is a growing and evolving field that allows to execute
dozens to several thousands of experiments per day with relatively limited resources …

Automation, analytics and artificial intelligence for chemical synthesis

J Liu, JE Hein - Nature Synthesis, 2023 - nature.com
Automation and real-time reaction monitoring have enabled data-rich experimentation,
which is critically important in navigating the complexities of chemical synthesis. Linking real …