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:100-27-6
Name:2-(4-Nitrophenyl)ethanol
Description:
Labels:eval
CAS:100-27-6
InChi Code:InChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.05538188

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