Table 3.
New chemicals predicted to have AR agonist activity using the agonist subset model A11000010100000.
| CASRN | Name | AUC (Agonist) | Steroid | CoMPARAa |
|---|---|---|---|---|
| 71–58–9 | Medroxyprogesterone acetate | 1.28 | Y | 111 |
| 17230–88–5 | Danazol | 1.02 | Y | 111 |
| 566–48–3 | 4-Hydroxyandrostenedione | 0.54 | Y | 110 |
| 434–03–7 | Ethisterone | 0.41 | Y | 110 |
| 6533–00–2 | dl-Norgestrel | 0.32 | Y | 110 |
| 52–76–6 | Lynestrenol | 0.31 | Y | 111 |
| 91–44–1 | 7-Diethylamino-4-methylcoumarin | 0.26 | N | 000 |
| 313–06–4 | Estradiol cypionate | 0.23 | Y | 111 |
| 42978–66–5 | Tripropylene glycol diacrylate | 0.16 | N | 000 |
| 1119–97–7 | Tetradonium bromide | 0.14 | N | 101 |
a
These binary values indicate activity in binding, agonist, antagonist modes. For example, 101 indicates an active prediction for antagonist and binding modes and inactive prediction for agonist mode.