Designing materials for catalysis is challenging because the performance is governed by an
intricate interplay of various multiscale phenomena, such as the chemical reactions on …

Photocatalysis has emerged as an effective tool for addressing the contemporary challenges
in organic synthesis. However, the trial-and-error-based screening of feasible substrates …

The use of micro/meso‐fluidic reactors has resulted in both new scenarios for chemistry and
new requirements for chemists. Through flow chemistry, large‐scale reactions can be …

Rapid and accurate prediction of basic physicochemical parameters of molecules will
greatly accelerate the target-orientated design of novel reactions and materials but has been …

The chemical and reaction spaces are incredibly vast and special procedures are required
to study them. Their complex and multiparametric nature encompass myriads of compounds …

Advancements in synthetic organic chemistry are closely related to understanding substrate
and catalyst reactivities through detailed mechanistic studies. Traditional mechanistic …

A catalyst selection method for the optimization of an asymmetric, vinylogous Mukaiyama
aldol reaction is described. A large library of commercially available and synthetically …

Classification, the computational process of categorizing an input into preexisting classes, is
now a cornerstone in modern computation in the era of machine learning. Here, we propose …

Classification, the computational process of categorizing an input into pre-existing classes,
is now a cornerstone in modern computation in the era of machine learning. Here we …

The development of machine learning models to predict the regioselectivity of C (sp3)–H
functionalization reactions is reported. A dataset for dioxirane oxidations was curated from …