From the start of a synthetic chemist's training, experiments are conducted based on recipes
from textbooks and manuscripts that achieve clean reaction outcomes, allowing the scientist …

Many properties of nanoparticles are governed by their shape, size, polydispersity and
surface chemistry. To apply nanoparticles in chemical sensing, medical diagnostics …

Most applications of machine learning in heterogeneous catalysis thus far have used black-
box models to predict computable physical properties (descriptors), such as adsorption or …

Self-driving laboratories (SDLs) promise an accelerated application of the scientific method.
Through the automation of experimental workflows, along with autonomous experimental …

Conspectus We must accelerate the pace at which we make technological advancements to
address climate change and disease risks worldwide. This swifter pace of discovery requires …

Conspectus The ongoing revolution of the natural sciences by the advent of machine
learning and artificial intelligence sparked significant interest in the material science …

Monoligated palladium (0) species, L1Pd (0), have emerged as the most active catalytic
species in the cross-coupling cycle. Today, there are methods available to generate the …

Machine learning (ML) techniques applied to chemical reactions have a long history. The
present contribution discusses applications ranging from small molecule reaction dynamics …

We report the development of an open-source experimental design via Bayesian
optimization platform for multi-objective reaction optimization. Using high-throughput …

General conditions for organic reactions are important but rare, and efforts to identify them
usually consider only narrow regions of chemical space. Discovering more general reaction …