ACD/HNMR Predictor
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Quickly and accurately predict 1H NMR spectra, chemical shifts, and coupling constants for almost any organic chemical structure.
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Prediction
ACD/Labs continues to enhance the quality of NMR predictions to reach a level of accuracy that remains unmatched. Tried and tested by major pharmaceutical and chemical companies worldwide, ACD/HNMR Predictor utilizes algorithms that have evolved and improved over the past decade and are now based on more than 1.7 million assigned 1H chemical shifts for more than 210,000 chemical structures. The powerful HOSE Code and neural network algorithms are employed to produce accurate chemical shifts for even the most challenging problems, including compounds that exhibit stereochemistry.
Processing
ACD/HNMR Predictor also includes 1D NMR processing functionality and the ability to process and predict spectra within the same interface. Access to our cutting edge verification algorithms provides the capability to automatically evaluate the correspondence between a proposed structure and experimental spectrum, and to auto-assign 1D NMR spectra.
Predictor Training
Build databases of experimental chemical shifts from your own compounds and novel structures to improve your predictions.
Input
Chemical structures, imported from a variety of formats (including SDfiles, molfiles, SMILES, InChI, etc.) or drawn directly with our renowned ACD/ChemSketch package, can be used to predict 1H NMR spectra in a matter of seconds. Add-ins for ISIS and ChemDraw provide access to our predictions directly from alternative drawing packages.
The separate ACD/HNMR DB software module provides you with access to browse the complete 1H NMR database used by our industry-standard predictions.
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