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_302
Name:Benzyl butyl phthalate
Description:
Labels:
CAS:85-68-7
InChi Code:InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3

Properties

ER_activity: Estrogenic activity

ValueSource or prediction
Active

experimental value

Inactive

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