Steric indices are parameters used in chemistry to describe the spatial arrangement of
atoms or groups of atoms in molecules. They are important in determining the reactivity …

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

Sulfinamides are some of the most centrally important four-valent sulfur compounds that
serve as critical entry points to an array of emergent medicinal functional groups, molecular …

Enantioselectivity prediction in asymmetric catalysis has been a long-standing challenge in
synthetic chemistry because of the high-dimensional nature of the structure …

Accurate prediction of reactivity and selectivity provides the desired guideline for synthetic
development. Due to the high-dimensional relationship between molecular structure and …

Recent years have witnessed a boom of machine learning (ML) applications in chemistry,
which reveals the potential of data‐driven prediction of synthesis performance. Digitalization …

Synthesis planning of new pharmaceutical compounds is a well-known bottleneck in
modern drug design. Template-free methods, such as transformers, have recently been …

Functional group substituted carboxymethyl ketones, particularly heterocyclic ones, are
important structural motifs in biologically active molecules, but their synthesis is challenging …

Metalloporphyrins have been regarded as one of the most promising electrocatalysts for
oxygen reduction reactions (ORRs) due to their ease of structure modification and the robust …

A catalyst possessing a broad substrate scope, in terms of both turnover and
enantioselectivity, is sometimes called “general”. Despite their great utility in asymmetric …