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:77-49-6
Name:2-Methyl-2-nitro-1,3-propanediol
Description:
Labels:eval
CAS:77-49-6
InChi Code:InChI=1S/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.005506155

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