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

The use of organocatalysts and a pot economy has strengthened recent organic syntheses.
Synthetic methodologies may be applicable in laboratory preparation or in the industrial …

Organic chemistry is undergoing a major paradigm shift, moving from a labor-intensive
approach to a new era dominated by automation and artificial intelligence (AI). This …

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

Mechanism-driven catalyst screening could be greatly accelerated by quantitative prediction
models of the reaction energy profile. Here, we propose a novel method for molecular …

Alfalfa holds an extremely significant place in animal nutrition when it comes to providing
essential nutrients. The leaves of alfalfa specifically boast the highest nutritional value …

The rapid progress of digital chemistry has profoundly transformed chemical research.
Despite this evolution, there are implementation gaps that hinder the widespread adoption …

Recent years have witnessed the transformative impact from the integration of artificial
intelligence with organic and polymer synthesis. This synergy offers innovative and …

Asymmetric transfer hydrogenation has a wide range of applications in organic synthesis. In
this work, we predict the enantiomeric excess value of asymmetric transfer hydrogenation …

Functional group compatibility in an amide bond cleavage reaction with hydrazine was
evaluated for 26 functional groups in the functional group evaluation (FGE) kit. Accurate and …