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:t_8
Name:4,4'-(1,3-Adamantanediyl)bisphenol
Description:
Labels:
CAS:37677-93-3
InChi Code:InChI=1S/C22H24O2/c23-19-5-1-17(2-6-19)21-10-15-9-16(11-21)13-22(12-15,14-21)18-3-7-20(24)8-4-18/h1-8,15-16,23-24H,9-14H2

Properties

ER_activity: Estrogenic activity

ValueSource or prediction
Active

experimental value

Active

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