. 2023 Jul 18;63(15):4545–4551. doi: 10.1021/acs.jcim.3c00135

Table 6. R², Adjusted R², Kfold Loss, MAE, and MAPE for GBDT Models Fitting Using only the Descriptors with VIPScores > 1, VIPScores > 0.5, and Fitting Using All 51 Descriptors.

	R²	adjusted R²	Kfold loss	average MAE	average MAPE
VIPScores > 1	0.737	0.736	0.228	4.521	41.415
VIPScores > 0.5	0.804	0.801	0.169	3.651	33.139
all descriptors	0.864	0.851	0.117	2.882	26.544

Table 6. R2, Adjusted R2, Kfold Loss, MAE, and MAPE for GBDT Models Fitting Using only the Descriptors with VIPScores > 1, VIPScores > 0.5, and Fitting Using All 51 Descriptors.