Mnova Predict

Mnova NMR Predict calculates accurate and precise NMR chemical shifts using a novel procedure that combines several prediction engines in a constructive way. Several machine learning methods are combined with increments and HOSE-code algorithms.

• Accurate chemical shifts computing and display for 1H, 13C, and other nuclides (11B, 15N,17O, 19F, 29Si, 31P) as well as J(HH), J(HF), J(HP), J(CF) and J(CP)
• Combines 3 different predictors (HOSE code, machine learning, increments method)
  
  

• Take better decisions by accurate chemical shift prediction
• Get precise predictions in no time, get even better predictions by building databases from already assigned molecular structures
• Benefit from the seamless toolbox Mnova and combine NMR predict with NMR Verify, qNMR, BioHOS and others
  
  

Please note that the new Mnova NMRPredict “Ensemble NMR Predictor” (Version ≥ 14) consists in two different licenses, Modgraph and Mestrelab Predictors

Article: NMR signal processing, prediction, and structure verification with machine learning techniques