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Table 1

RMSE obtained in the validation of the neural networks after training, for each targeted variable and each random split of the dataset.

Root mean squared error (RMSE) in validation

Split Fractional composition (%) Temp.
# H2O CO CO2 CH3OH NH3 CH4 (K)
1 1.9 1.6 2.5 2.4 1.6 1.4 7.7
2 2.5 2.2 3.3 2.1 1.1 1.6 12.6
3 2.2 2.6 2.1 2.3 0.9 1.1 9.6
4 2.8 2.5 2.3 2.0 1.4 1.2 9.9
5 2.0 2.7 2.3 2.3 1.0 1.4 10.5
6 2.4 2.3 2.3 2.6 1.1 1.7 9.1
7 2.6 1.9 2.4 2.4 1.2 1.5 11.7
8 2.6 1.7 2.7 1.9 1.6 1.4 10.2
9 2.9 3.3 2.3 2.1 2.1 1.5 9.2
10 2.4 2.3 2.8 2.2 1.4 1.3 11.0
mean 2.4 2.3 2.5 2.2 1.4 1.4 10.2

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