Accurate extraction of molecular representations is a critical step in the drug discovery process. In recent years, significant progress has been made in molecular representation learning methods, ...

Reactions that alter organic scaffolds by a single atom are already proving useful, but time will tell if they’ll ...

In this publication, published on May 18, 2025, in the Journal of American Chemical Society, Prof. Rickhaus and his team focus on molecules called carpyridines, shaped like microscopic saddle. Just ...

Researchers discover how closed-shell PAHs cool efficiently in space, impacting models of prebiotic carbon formation.

More than a year ago, computational scientists at the Department of Energy's Oak Ridge National Laboratory published a study ...

ConspectusThe extracellular matrix of a tissue is as important to life as the cells within it. Its detailed molecular structure defines the environment of a tissue’s cells and thus their properties, ...

In the traditional wire bonding structure, the distance between the signal wire and the ground wire cannot be too small, which leads to the large characteristic impedance and affects the integrity of ...

The article indicates that the sudden appearance (or disappearance?) of polymorphs can derail clinical programmes. Such an ...

Researchers at the ICN2 and the UAB have developed a novel strategy to obtain different types of organic molecules by ...

Safe and effective high explosives are critical to Lawrence Livermore National Laboratory's (LLNL) mission of stockpile ...

Aliphatic carbonyls widely exist in source emissions and the atmosphere, serving as secondary organic aerosol (SOA) precursors. Molecular structure including carbon number and functional groups ...

The concept of the NMR chemical shift/structure correlation A polymer chain has an enormous number of chemical bonds. In the solution state, the NMR chemical shifts of polymers are generally the ...