Antibiotic pollution in water is a growing global concern, as residues from human medicine, livestock production, and aquaculture can persist in the environment and contribute to the spread of ...

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

Whether a smartphone battery lasts longer or a new drug can be developed to treat incurable diseases depends on how stably the atoms constituting the material are bonded. The core of 'molecular design ...