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. 2022 Nov 30;12(24):15373–15385. doi: 10.1021/acscatal.2c04349

Table 2. Sensitivity Analysis of the ML Model under Various Scenarios.

scenario initial:blind split initial set datapoints training R2 blind set datapoints validation R2 validation RMSE
base case 14:5 189 0.97 36 0.76 6.2
1 a 12:7 170 0.97 55 0.27 10.03
1 b 10:9 142 0.97 83 0.43 11.70
2 14:5 various 0.98 various 0.33 9.60
3 12:4 151 0.97 36 0.75 6.27