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:91-88-3
Name:2-(N-Ethyl-m-toluidino)ethanol
Description:
Labels:eval
CAS:91-88-3
InChi Code:InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.102082902

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