Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP

Table 1 Models obtained from different scoring functions based on the training set

Scoring function	Intersection point	AUC	Sensitivity	Specificity	Accuracy	G-mean	MCC
ChemScore	29.50	0.87	0.60	0.88	0.81	0.73	0.50
GoldScore	53.50	0.82	0.74	0.75	0.75	0.74	0.45
GlideXP	−6.80	0.77	0.80	0.65	0.69	0.72	0.39
Xscore (ChemScore)	6.15	0.92	0.71	0.95	0.88	0.82	0.69
Xscore (GoldScore)	6.10	0.93	0.68	0.95	0.88	0.80	0.68