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_191
Name:12-Hydroxy benzo[a]pyrene
Description:
Labels:
CAS:56892-33-2
InChi Code:InChI=1S/C20H12O/c21-18-11-17-15-6-2-1-4-13(15)10-14-9-8-12-5-3-7-16(18)19(12)20(14)17/h1-11,21H

Properties

ER_activity: Estrogenic activity

ValueSource or prediction
Inactive

experimental value

Active

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