Performance Validation of Neural Network Based 13C NMR Prediction Using a Publicly Available Data Source

The validation of the performance of a neural network based 13C NMR prediction algorithm using a test set available from an open source publicly available database, NMRShiftDB, is described. Since similar work has been reported online for another algorithm we compared the results with the errors determined using Robien’s CNMR Neural Network Predictor using the entire NMRShiftDB for program validation.