Comparing NMR Prediction Approaches
A new article is now available on JCIM ASAP entitled,
"Toward More Reliable 13C and 1H Chemical Shift Prediction: A
Systematic Comparison of Neural-Network and Least-Squares Regression
Based Approaches" 10.1021/ci700256n
A very interesting read for those interested in the performance of NMR predictions.
Some really nice conclusions on both the speed and accuracy of different NMR prediction approaches using our very own ACD/CNMR Predictor.
As Tony is an author of this piece, head on over to his blog for his synopsis on the work as well as the abstract.
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