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, ...

Ceramides, as major components of the human stratum corneum’s (SC) lipid matrix, are considered crucial for regulating the skin’s barrier function against the ingress of exogenous substances as well ...

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 ...