14 Predictive Modeling of Tox21 Data
283
Table 14.1 (continued)
Assay
Assay name
PubChem AID
Reproducibility score
AR-MDA agonist
Androgen receptor,
full length, agonist
mode
743040, 1259381,
1259379, 1259387
99.74
AR-MDA antagonist
Androgen receptor,
full length, antagonist
mode
743042, 743054,
743041, 1259243,
1259242, 1259247
92.28
CAR agonist
Constitutive
androstane receptor,
agonist mode
1224839, 1224836
99.93
CAR antagonist
Constitutive
androstane receptor,
antagonist mode
1224838, 1224837
89.24
ER-BG1 agonist
Estrogen receptor
alpha, full length,
agonist mode
743079, 1259383,
1259386, 1259391
91.46
ER-BG1 antagonist
Estrogen receptor
alpha, full length,
antagonist mode
743080, 743091,
743081, 1259244,
1259241, 1259248
95.25
ER-BLA agonist
Estrogen receptor
alpha, ligand binding
domain, agonist
mode
743075, 743077
95.25
ER-BLA antagonist
Estrogen receptor
alpha, ligand binding
domain, antagonist
mode
743069, 743078,
743074
84.90
ER-beta-BLA agonist Estrogen receptor
beta, agonist mode
1259377, 1259380,
1259394
91.76
ER-beta-BLA
antagonist
Estrogen receptor
beta, antagonist mode
1259378, 1259382,
1259396
90.96
ERR
Estrogen-related
receptor
1224834, 1224849,
1224848, 1259403,
1259404
95.66
ERR-PGC
Estrogen-related
receptor with the
pleiotropic
PPAR-gamma
coactivator (PGC)
1224842, 1224841,
1224840, 1259401,
1259402
93.35
FXR-BLA agonist
Farnesoid X receptor,
agonist mode
743220, 743239,
743218
95.09
FXR-BLA antagonist Farnesoid X receptor,
antagonist mode
743217, 743240,
743221
88.48
(continued)