Table 6.

Local Prediction Performance (AUC) for All Toxicity Endpoints Using Morgan Chemical Structure(C), Gene Level Biological(B), and Hybrid(CB) Descriptors by study type and liver target effects. Column 1 expresses various toxicity study types(6A), or liver effect(6B) and the total number of chemicals with in vivo data available for all descriptors (in parenthesis). Columns 2–3 comprises the average by study type AUC | SD.

6A.
Study	ge (B)	mrgn (C)	MG(CB)
Chr (276)	*0.58 | 0.33	0.39 | 0.33	0.44 | 0.34
Dev (273)	0.40 | 0.38	0.38 | 0.37	0.40 | 0.34
Dnt (24)	0.41 | 0.44	0.23 | 0.36	0.23 | 0.26
Mgr (99)	0.45 | 0.32	0.42 | 0.34	0.29 | 0.30
Rep (54)	*0.32 | 0.41	0.68 | 0.41	0.42 | 0.42
Sac (111)	0.59 | 0.37	0.56 | 0.36	0.57 | 0.34
Sub (249)	*0.50 | 0.32	0.37 | 0.30	0.44 | 0.34
ALL	*0.49 | 0.34	0.41 | 0.35	0.42 | 0.35
6B.
Target	ge (B)	mrgn (C)	MG(CB)
Chr_liver (96)	0.63 | 0.32	0.45 | 0.34	0.52 | 0.37
Mgr_liver (75)	0.46 | 0.36	0.46 | 0.36	0.33 | 0.33
Sac_liver (33)	0.58 | 0.43	0.72 | 0.34	0.62 | 0.33
Sub_liver (78)	0.52 | 0.35	0.37 | 0.28	0.45 | 0.34
ALL_liver	0.55 | 0.35	0.47 | 0.34	0.46 | 0.35

^(*)indicates study type specific statistically significant (p < 0.05) differences in mean AUC scores between descriptors and baseline approach (Morgan chemical Structure).

Descriptors listed include: Biological(B), Gene (ge); Chemical(C) Structure, Morgan (mrgn); Hybrid(CB), Morgan + Gene.