Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization by rapidly predicting molecular interactions and properties. For ...

One of the shared, fundamental goals of most chemistry researchers is the need to predict a molecule's properties, such as ...

Martin’s group had investigated that molecule’s σ aromaticity as early as 1990 but did not report the research in the scientific literature and did not examine the compound’s π aromaticity.

Once thought unlikely, this new finding in coordination chemistry could lead to promising advances in catalysis and materials science. For more than 100 years, the widely accepted 18-electron rule has ...