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NMRPredict Overview |
Try NMRPredict
NMRPredict Desktop
NMRPredict is available as a "plug-in" with the new MestreNova software from Mestrelab Research . When you download the 45 free trial of Mnova you will automatically receive the NMRPredict Desktop plug-in. This version will provide proton predictions, X-Nuclei predictions and carbon 13 predictions which users can compare with their experimental spectra in one interface.The only limitation is that the C13 predictions use only a Neural Network, there is no underlying database where you can examine the data behind each prediction.
NMRPredict on-line
If you are an individual in academia you can run a free 45 day trial of NMRPredict against the NMRPredict server housed at Mestrelab Research . This on-line version allows you to run proton predictions using two prediction algorithms, carbon predictions against 345,000 C13 spectra and X-Nuclei predictions against 79,000 spectra.Please note that your institution’s firewall may prevent you from connecting to the Mestrelab Research server. If you have any problems we suggest you run a test on whether they are due to your firewall. Please unzip and run a small software package which you will find here.
In-house trials
If you are unable to run the on-line trial, or do not want to send your confidential molecules across the Internet, we can set up an in-house trial at your own facility. Please contact Jeff Seymour at jeff@modgraph.co.uk. for more details.