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. 2022 Jul 6;14(7):1415. doi: 10.3390/pharmaceutics14071415

Table 1.

Results of the AutoML model evaluation for training and test sets. RMSE—root mean square error; R2—coefficient of determination; AIC—Akaike Information Criterion.

Inputs Number 10-CV External Testing
RMSE R 2 RMSE R 2 Adjusted R 2 AIC
216 0.5437 0.7443 0.6806 0.6021 0.4362 1642.8
123 0.5523 0.7361 0.6830 0.5992 0.5185 1605.5
39 0.5774 0.7116 0.6926 0.5879 0.5648 1583.9
38 0.5782 0.7108 0.7282 0.5445 0.5196 1673.5
24 0.5926 0.6962 0.7276 0.5452 0.5298 1716.4
23 0.5941 0.6946 0.7597 0.5042 0.4882 1751.8