Accurate NMR Prediction relies on superior algorithms using the most accurate and relevant data from several classes of compounds. Hence, the accuracy of the result is highly dependent on the accuracy of the database of chemical shifts employed in the calculation.
Users can improve predictions through user training and by patching assignments.
Available under the Chemical Shift Calculation Protocol it allows modification of unsatisfactory spectral assignments. We encourage all users to submit incorrect assignments in the current ACD Internal Database so that we may constantly improve the integrity of our internal ACD Prediction Database. ACD has added additional data to the internal database for the next software release. During this process we also identified and removed obvious anomalous shifts. However, since we are in the fortunate position of conversing with clients regarding errors they may identify we will be generating new patch files on an ongoing basis.