Automation and computer-assisted planning for chemical synthesis
The molecules of today—the medicines that cure diseases, the agrochemicals that protect
our crops, the materials that make life convenient—are becoming increasingly sophisticated …
our crops, the materials that make life convenient—are becoming increasingly sophisticated …
Automation isn't automatic
M Christensen, LPE Yunker, P Shiri, T Zepel… - Chemical …, 2021 - pubs.rsc.org
Automation has become an increasingly popular tool for synthetic chemists over the past
decade. Recent advances in robotics and computer science have led to the emergence of …
decade. Recent advances in robotics and computer science have led to the emergence of …
The evolution of high-throughput experimentation in pharmaceutical development and perspectives on the future
SM Mennen, C Alhambra, CL Allen… - … Process Research & …, 2019 - ACS Publications
High-throughput experimentation (HTE) has revolutionized the pharmaceutical industry,
most notably allowing for rapid screening of compound libraries against therapeutic targets …
most notably allowing for rapid screening of compound libraries against therapeutic targets …
The evolution of chemical high-throughput experimentation to address challenging problems in pharmaceutical synthesis
Conspectus The structural complexity of pharmaceuticals presents a significant challenge to
modern catalysis. Many published methods that work well on simple substrates often fail …
modern catalysis. Many published methods that work well on simple substrates often fail …
Universal chemical programming language for robotic synthesis repeatability
The amount of chemical synthesis literature is growing quickly; however, it takes a long time
to share and evaluate new processes among laboratories. Here we present an approach …
to share and evaluate new processes among laboratories. Here we present an approach …
The Catalysis Laboratory at Merck: 20 Years of Catalyzing Innovation
The Catalysis Laboratory at Merck was established in 2002 to discover and develop
asymmetric hydrogenation transformations for application to the company's pipeline. Twenty …
asymmetric hydrogenation transformations for application to the company's pipeline. Twenty …
Advancement in organic synthesis through high throughput experimentation
SA Biyani, YW Moriuchi, DH Thompson - Chemistry‐Methods, 2021 - Wiley Online Library
Exploration of synthetic transformations using high throughput experimentation (HTE) can
accelerate the rapid discovery of optimal conditions for organic reactions and improve our …
accelerate the rapid discovery of optimal conditions for organic reactions and improve our …
Multitask prediction of site selectivity in aromatic C–H functionalization reactions
Aromatic C–H functionalization reactions are an important part of the synthetic chemistry
toolbox. Accurate prediction of site selectivity can be crucial for prioritizing target compounds …
toolbox. Accurate prediction of site selectivity can be crucial for prioritizing target compounds …
Development of an automated kinetic profiling system with online HPLC for reaction optimization
M Christensen, F Adedeji, S Grosser… - Reaction Chemistry & …, 2019 - pubs.rsc.org
Automated kinetic profiling is a valuable tool for providing insights into key mechanistic
features of complex catalytic systems. In an attempt to optimize a palladium-catalyzed …
features of complex catalytic systems. In an attempt to optimize a palladium-catalyzed …
Recent Progress on One-Pot Multisubstrate Screening
MS Fogel, K Koide - Organic Process Research & Development, 2023 - ACS Publications
Traditionally, new synthetic reactions have been developed using a model substrate to
screen reaction conditions before testing the optimized conditions with a range of more …
screen reaction conditions before testing the optimized conditions with a range of more …