ACD/NNMR
Integration
In addition to ACD/NNMR Predictor being a standalone, fully functioning prediction engine, there remain several other products that complement the predictor to provide a more comprehensive solution based on the customer's scientific and computer deployment needs. Read below for more information on the tasks that can be achieved through integration or implementation of other ACD/Labs products.
ACD/NNMR DB
The NNMR predictions are based on correlation algorithms and a comprehensive database of chemical shifts and coupling constants that has rapidly grown through the development of each version. ACD/NNMR DB allows you to gain access to our prediction database containing structures and assigned chemical shifts and coupling constants for about 8800 compounds. The fully searchable database also includes original literature references, molecular formulae, molecular weights, and IUPAC names.
Visualize Predicted 15N NMR Spectra
Since the goal of NMR prediction is most often structure verification and assistance in interpretation, a prediction software package should be able to link to the experimental spectrum to predicted spectra.
By integrating ACD/1D NMR Processor with ACD/NNMR, you can visualize the predicted 15N NMR spectrum and compare it with the experimental spectrum on the same screen. This provides you with an easier way to evaluate the consistency of a spectrum to structure correlation.
Variety of Access Options
ACD/Labs Add-ins for ISIS will place tables of shifts and coupling constants in the ISIS/Base interface.
What if the software should be actively used by 25+ chemists?
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