The medicinal chemist's toolbox for late stage functionalization of drug-like molecules

T Cernak, KD Dykstra, S Tyagarajan… - Chemical Society …, 2016 - pubs.rsc.org
The advent of modern C–H functionalization chemistries has enabled medicinal chemists to
consider a synthetic strategy, late stage functionalization (LSF), which utilizes the C–H …

Automated experimentation powers data science in chemistry

Y Shi, PL Prieto, T Zepel, S Grunert… - Accounts of Chemical …, 2021 - ACS Publications
Conspectus Data science has revolutionized chemical research and continues to break
down barriers with new interdisciplinary studies. The introduction of computational models …

Nanomole-scale high-throughput chemistry for the synthesis of complex molecules

A Buitrago Santanilla, EL Regalado, T Pereira… - Science, 2015 - science.org
At the forefront of new synthetic endeavors, such as drug discovery or natural product
synthesis, large quantities of material are rarely available and timelines are tight. A …

Quantum harmonic oscillator state synthesis by reservoir engineering

D Kienzler, HY Lo, B Keitch, L De Clercq, F Leupold… - Science, 2015 - science.org
The robust generation of quantum states in the presence of decoherence is a primary
challenge for explorations of quantum mechanics at larger scales. Using the mechanical …

High throughput strategies for the discovery and optimization of catalytic reactions

ES Isbrandt, RJ Sullivan… - Angewandte Chemie …, 2019 - Wiley Online Library
Homogeneous catalysis has provided chemists with numerous transformations to enable
rapid construction of organic molecules. However, these reactions are complex, requiring …

High throughput analysis enables high throughput experimentation in pharmaceutical process research

CJ Welch - Reaction Chemistry & Engineering, 2019 - pubs.rsc.org
High throughput experimentation has become widely used in the discovery and
development of new medicines. Progress in the field relies on an interplay between high …

The power and accessibility of high-throughput methods for catalysis research

CL Allen, DC Leitch, MS Anson, MA Zajac - Nature Catalysis, 2019 - nature.com
Developing catalytic reactions for organic synthesis is the central goal of countless research
groups worldwide. High-throughput experimentation is invaluable for this pursuit, with the …

High-throughput automation in chemical process development

JA Selekman, J Qiu, K Tran, J Stevens… - Annual review of …, 2017 - annualreviews.org
High-throughput (HT) techniques built upon laboratory automation technology and coupled
to statistical experimental design and parallel experimentation have enabled the …

Selection of low-dimensional 3-D geometric descriptors for accurate enantioselectivity prediction

G Antinucci, B Dereli, A Vittoria, PHM Budzelaar… - ACS …, 2022 - ACS Publications
This study focuses on building enantioselectivity models using only a few intuitively
meaningful descriptors based on the “buried volume” idea. Appropriate dissection of the …

ansa-Zirconocene Catalysts for Isotactic-Selective Propene Polymerization at High Temperature: A Long Story Finds a Happy Ending

PS Kulyabin, GP Goryunov, MI Sharikov… - Journal of the …, 2021 - ACS Publications
Absolute rigidity is rare in the “soft” world of organometallics. Here we introduce two
cyclopenta [a] triptycyl ansa-zirconocene catalysts for isotactic-selective propene …