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:115-70-8
Name:2-Amino-2-ethyl-1,3-propanediol
Description:
Labels:eval
CAS:115-70-8
InChi Code:InChI=1S/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.002354994

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