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. 2021 Aug 25;22(17):9194. doi: 10.3390/ijms22179194

Figure 2.

Figure 2

Retention index prediction for polar stationary phases using the NIST 17 database for training and validation. The average of CNNPolar and MLPPolar predictions is considered unless otherwise specified. (A)—predicted versus reference values for the full database (cross-validation). (B)—distributions of errors. (C)—distributions of errors for different deep learning models. (D)—mean and median absolute errors of prediction for the cross-validation subsets of NIST 17. The horizontal lines denote the results for NIST 05 given in reference [23].