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_153
Name:PhIP
Description:
Labels:
CAS:105650-23-5
InChi Code:InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)

Properties

ER_activity: Estrogenic activity

ValueSource or prediction
Inactive

experimental value

Active

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