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, ...

The gel-spun ultrahigh molecular weight polyethylene (UHMWPE) fibers were prepared at the industrial production line with different gel solution concentration of 10–18 wt %. The effect of gel solution ...

Cyanoformyl chloride and cyanoformyl bromide, XC(O)CN (X = Cl and Br), have been investigated in the gas phase by UV photoelectron and mid-infrared spectroscopies. The ground-state geometries of the ...