Fast & Accurate NMR Prediction from Chemical Structures
Mnova NMRPredict provides fast and accurate NMR spectra predictions from chemical structures. It uses Ensemble NMR Prediction, a novel approach that combines multiple prediction engines, including Machine Learning methods and Modgraph Consultants’ Increments and HOSE-code algorithms.
NMRPredict includes Modgraph and Mestrelab Predictors licenses.
Download Mnova for a 45-Day Free Trial on Mnova NMRPredict
15.0.1
15.0.1
15.0.1
Compute and display accurate chemical shifts for 1H, 13C, and other nuclides such as 11B, 15N,17O, 19F, 29Si, 31P as well as J(HH), J(HF), J(HP), J(CF) and J(CP).
A combination of powerful algorithms (including Machine Learning, HOSE-code and Increments-based methods) run behind the scenes.
Train your predictions by building your NMR databases from already assigned molecular structures.
Helps in peak assignment and structure confirmation when coupled to Mnova NMR processing and analysis tools.
Ability to drill-down user assigned 1H and 13C experimental data.
Each predicted value is accompanied by its confidence interval.
Combined algorithms from Mestrelab and Modgraph
Compare predicted & experimental spectra
Train your predictions
Workshop - NMR Prediction
Mnova Tip 6 - Accurate NMR Prediction for your reagents and products
Mnova Tip 11 - NMR Prediction using different frequencies
Mnova Tip 14 - Improving Spectral NMR Prediction of Salts
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