This presentation will provide an overview of the 1H, 13C, 15N, 19F, and 31P NMR chemical shift and coupling constant prediction using the ACD/Labs software available at Merck. We will discuss how the software generates the predicted chemical shift and correlations for 1D and 2D spectra, and how these are used for verification and assignment assistance. Newly implemented features in the latest deployed version will also be discussed.