Nmr J Coupling

NMR J-coupling refers to the indirect coupling effect between adjacent atomic nuclei in nuclear magnetic resonance (NMR) spectroscopy, which manifests as fine splitting of spectral lines. The task aims to predict the J-coupling constant values between atoms in a molecule to reveal the relationship between molecular structure and properties. Accurate prediction of J-coupling can enhance the understanding of complex molecular structures, thereby promoting advancements in drug design and material science. In this process, efficient handling of graph-structured data is crucial.