Mnova Predict

Bright spot

Accurate prediction

NMR chemical shift

Using AI techniques

To obtain better prediction results

Mnova NMR Predict a novel procedure is used to calculate accurate and precise NMR chemical shift, it in a constructive way is a combination of multiple forecast engine, a variety of machine learning methods combined with incremental and HOSE code algorithm.

The characteristics of

Accurate calculation and display the 1 h and 13 c and other nuclear (11, 15 n, 17, 19 f o b, 29 si, 31 p) and J (HH), J (HF), J (HP), J (CF) and J (CP) chemical shift
Combined with 3 different predictor (HOSE code, machine learning, the incremental method)

advantage

Through the accurate forecast of the chemical shift to better decisions
In a short time, obtain accurate forecasts, through the establishment of the database from the molecular structure of the assigned to obtain better forecasts
Thanks to the seamless Mnova and assembled NMR Predict and NMR Verify, qNMR, BioHOS and other tools

application

Calculate each atom of the prediction error boundary (or ci), users a better understanding of the predicted results and enhance confidence.Accept user input (specified structure/spectrum is added to the prediction database), to training predictor and improve prediction results.

Experimental and predictive data can be used as part of the work process to merge and compared

Technical parameters

Please note that the new Mnova NMR Predict "Ensemble NMR Predictor" version (14 or higher) consists of two different License, namely Modgraph and Mestrelab Predictors

Consumables and spare parts

Related products

For more information

Find out more

The Article:NMR signal processing, prediction, and structure the verification with machine learning techniques

support

LabScape

Brooke BioSpin nuclear magnetic resonance (NMR) and preclinical imaging products, services and lifecycle support

Brooke promises to provide clients with unparalleled throughout the buying cycle, from the initial consultation to the evaluation, installation, and service life of the instrument, it is LabScape always adhere to the service concept.

LabScape Maintenance agreement (Maintenance Agreements), the optional services (On - site On - Demand) and laboratory improvement plan (Enhance Your Lab) modern Lab is dedicated to provide you with a new method of Maintenance and service.