Table 7. Nested, 5-Fold Cross-Validation Statistics for Uncurated Human Regression Models for AChE Inhibition^a.

Uncurated Human: 4511 Compounds (3.76–10.96 −log M)
model	MAE	RMSE	R2	MPD	MGD
ADAR	0.93	1.11	0.27	0.20	0.03
BR	0.65	0.85	0.57	0.12	0.02
ENR	0.81	1.02	0.38	0.17	0.03
kNNR	0.54	0.77	0.65	0.09	0.02
RFR	0.55	0.74	0.68	0.09	0.01
SVR	0.49	0.68	0.73	0.07	0.01
XGBR	0.61	0.83	0.59	0.11	0.02

^aADAR = AdaBoosted decision trees; BR = BayesianRidge; ENR = ElasticNet regression; kNNR = K-nearest neighbors regression; RFR = random forest regression; SVR = support vector regression; XBGR = XGBoost regression; R² = coefficient of determination; MAE = mean of absolute value of errors; RMSE = root-mean-squared error; MPD = mean Poisson deviance; MGD = mean gamma deviance.