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Table 1 Top: Evaluation of the prediction accuracy by compartment-wise comparison of the adjusted coefficient of determination R2 derived from a linear regression of ground truth and pH values predicted by conventional line fitting (model “Modelling of NMR pHe spectra” and “Data analysis and conventional line fitting” sections) and the neural networks after application to 20 synthetic test spectra; Bottom: Linear slope coefficients β derived from linear regressions to evaluate prediction bias

From: Prediction of multiple pH compartments by deep learning in magnetic resonance spectroscopy with hyperpolarized 13C-labelled zymonic acid

R2

Line fitting

CNNmix

CNNsyn

MLPmix

MLPsyn

Compartment 1—Cortex

0.85

0.78

0.90

0.11

0.22

Compartment 2—Medulla

0.65

0.91

0.92

0.05

0.08

Compartment 3—Ureter

0.99

0.98

0.99

0.65

0.59

β

Line Fitting

CNNmix

CNNsyn

MLPmix

MLPsyn

Compartment 1—Cortex

0.81

1.01

1.30

3.83

4.79

Compartment 2—Medulla

0.59

1.30

1.26

1.87

2.64

Compartment 3—Ureter

1.02

1.09

1.08

1.52

1.62

  1. Both parameters show poor accuracy and strong prediction bias for the medulla for line fitting and MLP networks potentially due to low SNR