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, ...

Arsenic is a recognized human carcinogen, but the mechanism of carcinogenesis is not well understood. Oxidative stress and inhibition of DNA damage repair have been postulated as potential ...

Calcite plays a significant role in regulating As speciation in natural and engineering systems. However, known processes, including surface adsorption and probable structural incorporation, likely ...