NMR Software

Mnova Predict

Accurate prediction of 1H and 13C NMR spectra from a chemical structure

Highlights

Precise Prediction
of NMR chemical shifts
Train 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.

Eigenschaften

Features

  • Accurate chemical shifts computing and display 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)
  • Combines 3 different predictors (HOSE code, machine learning, increments method)

Vorteile

Benefits

  • Take better decisions by accurate chemical shift prediction
  • Get precise predictions in no time, get even better predictions by building databases from already assigned molecular structures
  • Benefit from the seamless toolbox Mnova and combine NMR predict with NMR Verify, qNMR, BioHOS and others

Anwendungen

Spezifikationen

Specifications

Please note that the new Mnova NMRPredict “Ensemble NMR Predictor” (Version ≥ 14) consists in two different licenses, Modgraph and Mestrelab Predictors

Support

Labscape

Service & Life Cycle Support for Magnetic Resonance and Preclinical Imaging

Bruker’s commitment to provide customers with unparalleled help throughout the buying cycle, from initial inquiry to evaluation, installation, and the lifetime of the instrument is now characterized by the LabScape service concept.

LabScape Maintenance Agreements, On-Site On-Demand and Enhance Your Lab are designed to offer a new approach to maintenance and service for the modern laboratory