Table 1.

Mean absolute error (MAE) values, as well as the standard error of the mean (σM; shown in brackets), obtained using the different ML algorithms following prediction of fractional drug release during nested cross-validation (i.e., n = 10 trials)

	LGBM	RF	NGB	XGB	DT	NN	k-NN	SVR	lasso	PLS	MLR
The inner loop (validation)	0.125 (0.039)	0.130 (0.041)	0.128 (0.040)	0.133 (0.042)	0.154 (0.049)	0.166 (0.053)	0.179 (0.057)	0.206 (0.065)	0.242 (0.076)	0.246 (0.078)	0.244 (0.081)
Outer loop (test)	0.114 (0.036)	0.119 (0.038)	0.122 (0.039)	0.126 (0.040)	0.154 (0.049)	0.184 (0.058)	0.176 (0.056)	0.248 (0.079)	0.255 (0.081)	0.252 (0.080)	0.255 (0.081)