Keyword Analysis & Research: nmr predictor

nmrdb.org

https://www.nmrdb.org/

WebThis website does not contain any database of NMR spectra but allows to predict easily as well as H spectra. Simulate and predict NMR spectra directly from your webbrowser using standard HTML5. You can also simulate 13C, 1H as …

DA: 7 PA: 97 MOZ Rank: 82

nmrdb.org

https://www.nmrdb.org/predictor/

WebAires-de-Sousa, M. Hemmer, J. Gasteiger, “Prediction of 1H NMR Chemical Shifts Using Neural Networks”, Analytical Chemistry, 2002, 74(1), 80-90 most of the proton descriptors are explained. In that work they were used for the prediction of 1H NMR chemical shifts by counterpropagation neural networks.

DA: 17 PA: 30 MOZ Rank: 84

cheminfo.org

https://www.cheminfo.org/Spectra/NMR/Predictions/1H_Prediction/index.html

WebResurrect NMR spectra; IconNMR; Predictions. All NMR predictions; HSQC Prediction; 13C Prediction; COSY Prediction; HSQC HMBC Prediction; 1H Prediction; Peak picking. 2D peak picking; 1D peak picking and assignment; Integrated exercises. IR MS NMR 1H; IR NMR 1H 13C; EM NMR 1H; GC simulator; IR. IR viewer; Exercises. Browse Spectra; …

DA: 3 PA: 99 MOZ Rank: 31

nmrdb.org

https://www.nmrdb.org/new_predictor/

WebSimulate and predict NMR spectra directly from your webbrowser using standard HTML5. You can also simulate 13C, 1H as well as 2D spectra like COSY, HSQC, HMBC. Second order effect like AB, ABX, AA'XX' can be simulated as well.

DA: 8 PA: 88 MOZ Rank: 33

nmrium.org

https://www.nmrium.org/

WebA software to visualize and analyze 1D and 2D NMR spectra for free. Designed for analytical and organic chemists as well as for teaching. predictor

predictor

DA: 1 PA: 88 MOZ Rank: 3

bruker.com

https://www.bruker.com/en/products-and-solutions/mr/nmr-software/mnova-predict.html

WebTrain the predictor. using AI to get even better predictions results. 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. Features.

DA: 78 PA: 43 MOZ Rank: 6

chemdoodle.com

https://web.chemdoodle.com/demos/simulate-nmr-and-ms/

WebThis demo will simulate 1 H and 13 C NMR spectra, as well as the mass spectrum parent peak (isotopic distribution), of the molecule you draw in the sketcher. Click the Simulate Spectra button to simulate the spectra when you finish drawing your molecule.

DA: 22 PA: 78 MOZ Rank: 69

chemaxon.com

https://docs.chemaxon.com/display/docs/nmr-predictor.md

WebPredicting the NMR spectrum for a chemical compound can play an important role in structure validation and elucidation. The NMR Predictor is a standalone tool that can predict both 1 H and 13 C NMR spectra of organic compounds. NMR Predictor QuickHelp. The picture below gives a quick overview on the capabilities of Chemaxon's NMR Predictor.

DA: 66 PA: 12 MOZ Rank: 80

mestrelab.com

https://mestrelab.com/software/mnova-software/nmr-predict/

WebMnova 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 …

DA: 42 PA: 21 MOZ Rank: 95

ic.ac.uk

https://www.ch.ic.ac.uk/local/nmrs/

WebNMR Predictor. This page illustrates how JSME (the JavaScript Molecular Editor) can be used along with JSpecView to obtain a simulated NMR spectrum for a chosen compound. These two views along with the 3D JSmol model, can be used in any combination. JSmol on this page calls servers in Frederick, Maryland ( NIH resolver, for name-to-structure ...

DA: 86 PA: 65 MOZ Rank: 61