ACD/NMR Predictor Suite

With ACD/NMR Predictor Suite, you can predict complete NMR spectra directly from a chemical structure. Simply input a structure from a file or the included ACD/ChemSketch interface, and receive full NMR spectra, chemical shifts, and coupling constants in seconds. Predicted spectra can also be directly compared with experimental data for more efficient structure verification. All NMR Predictors use both HOSE code and neural net algorithms to provide the most accurate predicted chemical shifts while also taking stereochemistry into account. NMR Predictor Suite software also includes the full processing functionality of ACD/Spectrus Processor, plus the ability to train predictions with your own experimental data.