Search Results - "Churanova, Tatiana S"
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Toward More Reliable 13C and 1H Chemical Shift Prediction: A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches
Published in Journal of chemical information and modeling (28-01-2008)“…The efficacy of neural network (NN) and partial least-squares (PLS) methods is compared for the prediction of NMR chemical shifts for both 1H and 13C nuclei…”
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Development of a fast and accurate method of 13C NMR chemical shift prediction
Published in Chemometrics and intelligent laboratory systems (01-05-2009)“…In this article we describe a fast and accurate method of 13C NMR chemical shift prediction. The high speed of chemical shift calculation described is achieved…”
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Toward More Reliable ^sup 13^C and ^sup 1^H Chemical Shift Prediction: A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches
Published in Journal of chemical information and modeling (01-01-2008)“…The efficacy of neural network (NN) and partial least-squares (PLS) methods is compared for the prediction of NMR chemical shifts for both ... and ... nuclei…”
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