10967/235 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.

Compound

ID:76-39-1
Name:2-Methyl-2-nitro-1-propanol
Description:
Labels:eval
CAS:76-39-1
InChi Code:InChI=1S/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)