WEBSITE STORE RESOURCES QUESTIONS? DOWNLOAD MNOVA FREE TRIAL PRODUCTS DOWNLOADS LEARN & SUPPORT EVENTS ABOUT US CONTACT Mestrelab > NMR Predict NMR Predict 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 GO TO 'STORE' & GET YOUR LICENSE Easily combine and compare experimental and predicted data as part of your workflow. Mnova NMR Predict: 45-day FREE trial 1. Download A plugin integrated in Mnova (separate license). No extra installer is required. 2. Installation Open Mnova and go to ‘Help/Get-Install Licenses’. Select ‘Evaluate’. 3. License Fill in the form to receive your trial license via e-mail. Mnova 14.2.2 Mnova 14.2.2 Mnova 14.2.2 Older versions More help to install advanced plugins Help & Resources Guides Start guide NMR Predict Articles NMR signal processing, prediction and structure verification with Machine Learning techniques Ensemble NMR Prediction BROWSE ALL RESOURCES FOR THIS PRODUCT Please note that the new Mnova NMRPredict “Ensemble NMR Predictor” (Version ≥ 14) consists in two different licenses, Modgraph and Mestrelab Predictors NMRPredict Highlights Make better decisions for your spectra faster! Compute and display accurate chemical shifts 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). Predicted 1H-NMR spectra are synthesized using a rigorous quantum mechanism approach that takes into account strong coupling effects. If the experimental spectrum is available, prediction will use the same experimental conditions (e.g. solvent and spectral properties: spectral width, spectrometer frequency, chemical shift reference, digital number of points, etc.) Train your predictions by building your NMR databases from already assigned molecular structures. Ability to drill-down user assigned 1H and 13C experimental data. Each predicted value is accompanied by its confidence interval. Academic, Government & Industrial Markets 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 End User Desktop Software License Agreement - MBook End User License Agreement - Cookies policy - Website Privacy Notice © Copyright 2021 . All Rights Reserved. Contact