SEARCH Articles Figures Tables Additivity rules, spectrum prediction Advance Catalyst Evaluation unit H-NMR spectra, predicted from Circular dichroism spectra, predicted Database retrieval, spectrum prediction Electronic structure spectra predictions Infrared spectra prediction Linear prediction spectra Mass spectrum prediction NMR spectrum prediction Neural networks spectrum prediction Nuclear magnetic resonance predicting spectra PASS (Prediction of Activity Spectra for Predicted proton resonance spectrum Predicting IR and Raman Spectra Predicting the hyperfine structure of an EPR spectrum Prediction of spectra Reaction mechanisms spectra predictions Rule-based methods, spectrum prediction Semiempirical methods spectrum prediction Spectra Prediction Methods Spectra Prediction Tools Spectra prediction Spectra prediction Spectrum prediction empirical modeling methods Spectrum prediction using databases Structure predicting from mass spectra Structure prediction from infrared spectra Vibrational spectra predictions