It is not a coincidence that both chirality and noncovalent interactions are ubiquitous in
nature and synthetic molecular systems. Noncovalent interactivity between chiral molecules …

Transition metal catalysis is of utmost importance for the development of sustainable
processes in academia and industry. The activity and selectivity of metal complexes are …

A mechanistic understanding of catalytic organic reactions is crucial for the design of new
catalysts, modes of reactivity and the development of greener and more sustainable …

The discovery and development of catalysts and catalytic processes are essential
components to maintaining an ecological balance in the future. Recent revolutions made in …

The design of molecular catalysts typically involves reconciling multiple conflicting property
requirements, largely relying on human intuition and local structural searches. However, the …

Conspectus Arising from the restricted rotation of a single bond caused by steric or
electronic effects, atropisomerism is one of the few fundamental categories for molecules to …

Machine learning methods are becoming integral to scientific inquiry in numerous
disciplines. We demonstrated that machine learning can be used to predict the performance …

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 …

Although machine learning bears enormous potential to accelerate developments in
homogeneous catalysis, the frequent need for extensive experimental data can be a …

Molecular recognition, binding and catalysis are often mediated by non-covalent interactions
involving aromatic functional groups. Although the relative complexity of these so-called π …