Table 5. BBB Permeability Prediction.

algorithms and fingerprints	threshold	α-mangostin	AMG-1
SVM and MACCS	0.02	–0.046	–0.094
SVM and Openbabel (FP2)	0	0.146	0.155
SVM and Molprint 2D	0	0.341	0.681
SVM and PubChem	0	–0.070	–0.135
AdaBoost and MACCS	0	–4.006	–0.070
AdaBoost and Openbabel (FP2)	0	8.623	9.675
AdaBoost and Molprint 2D	0	–1.614	3.049
AdaBoost and PubChem	0	0.089	1.226