Table 1 Summary of chemical sets used for this work.

Chemical sets for the structural analysis (SOM and ToxPrint analysis)

Full set of chemicals (H295R)

2012

Active chemicals in concentration response curve for E2 (E2up)^a

182

Active chemicals in concentration response curve for P4 (P4up)^a

186

Borderline active chemicals excluded from the E2up active set^a

84

Borderline active chemicals excluded from the P4up active set^a

90

Chemical sets used for the QSAR modeling

Active

 Active chemicals in concentration response curve for E2 (E2up)^a

182

 Active chemicals in concentration response curve for P4 (P4up)^a

186

Excluded due to uncertain activity

 Borderline active chemicals excluded from the E2up active set^a

84

 Borderline active chemicals excluded from the P4up active set^a

90

 Chemicals single dose active response for E2

228

 Chemicals single dose active response for P4

104

Inactive

 Inactive chemical set used for QSAR-E2up

1518

 Inactive chemical set used for QSAR-P4up

1632