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_187
Name:1-Nitropyrene
Description:
Labels:
CAS:5522-43-0
InChi Code:InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H

Properties

ER_activity: Estrogenic activity

ValueSource or prediction
Inactive

experimental value

Inactive

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