10967/213 - QDB Compounds

QsarDB Repository

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_97
Name:2,2-Bis(4-(2-hydroxy-3-methacryloxypropoxy)phenyl)propane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C29H36O8/c1-19(2)27(32)36-17-23(30)15-34-25-11-7-21(8-12-25)29(5,6)22-9-13-26(14-10-22)35-16-24(31)18-37-28(33)20(3)4/h7-14,23-24,30-31H,1,3,15-18H2,2,4-6H3

Properties

ER_activity: Estrogenic activity

ValueSource or prediction
Inactive

experimental value

Active

Figure.1: Classification model for estrogenic activity (Validation set)