Accurate prediction of 1H and 13C NMR spectra from a chemical structure.
Mnova NMR Predict calculates accurate and precise NMR chemical shifts using a novel procedure that combines several prediction engines in a constructive way. This method is called Ensemble NMR Prediction and uses several Machine Learning methods in combination with the well-knonwn Increments and HOSE-code algorithms developed by Modgraph Consultants. Prediction of chemical shifts of other nuclides is also available.
To complement the article about Ensemble NMR Prediction you can also read a blog post about 1H data here
Easily combine and compare experimental and predicted data as part of your workflow.
Mnova NMR Predict: 45-day FREE trial
A plugin integrated in Mnova (separate license). No extra installer is required.
Open Mnova and go to ‘Help/Get-Install Licenses’. Select ‘Evaluate’.
Fill in the form to receive your trial license via e-mail.
Help & Resources
Please note that an Mnova NMRPredict license consists in a Modgraph NMRPredict license by default. In adittion an Mnova Mestrelab Predictor license can be purchased separetely. With these two licenses together, you will be entitled to use the new Ensemble Predictor!
Make better decisions for your spectra faster!
Academic, Government & Industrial
- Pharmaceutical, chemical and food industries and QC environments
- Research and NMR teaching in Academia
- Suitable for individual users, research groups as well as large institutions and companies