10967/234 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.

Compound

ID:2315-67-5
Name:2-[4-(2,4,4-Trimethyl-2-pentanyl)phenoxy]ethanol
Description:
Labels:eval
CAS:2315-67-5
InChi Code:InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.276421016

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)