Saliner, A. G.; Netzeva, T. I.; Worth, A. P. Prediction of estrogenicity: validation of a classification model. SAR QSAR Environ. Res. 2006, 17, 195–223.
Compound
| ID: | v_330 | |
|---|---|---|
| Name: | Estrone | |
| Description: | ||
| Labels: | ||
| CAS: | 53-16-7 | |
| InChi Code: | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
Properties
ER_activity: Estrogenic activity
| Value | Source or prediction |
|---|---|
| Active |
experimental value |
| Active |
Figure.1: Classification model for estrogenic activity (Validation set) |