This two‐part Review examines how automation has contributed to different aspects of
discovery in the chemical sciences. In this first part, we describe a classification for …

Synthetic organic chemistry underpins several areas of chemistry, including drug discovery,
chemical biology, materials science and engineering. However, the execution of complex …

Reaction condition recommendation is an essential element for the realization of computer-
assisted synthetic planning. Accurate suggestions of reaction conditions are required for …

Compared to the vapour phase, liquid-phase heterogeneous catalysis provides additional
degrees of freedom for reaction engineering, but the multifaceted solvent effects complicate …

The use of organic solvents in biomass conversion reactions can lead to high rates and
improved selectivities. Here, we elucidate the effects of organic solvent mixtures with water …

Platform molecules have recently been in the focus of numerous investigations as
intermediates for transformation of lignocellulosic biomass into fuels and chemicals. Herein …

This article provides an introduction to and review of the field of computer-aided molecular
design (CAMD). It is intended to be approachable for the absolute beginner as well as useful …

The optimal design of compounds through manipulating properties at the molecular level is
often the key to considerable scientific advances and improved process systems …

Rational solvent selection remains a significant challenge in process development. Here we
describe a hybrid mechanistic-machine learning approach, geared towards automated …

Solvents are indispensable components of chemical processes, and the application of
ecofriendly, safe, and efficient solvents is vital for building green chemical processes …