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:815-17-8
Name:3,3-Dimethyl-2-oxobutyric acid
Description:
Labels:eval
CAS:815-17-8
InChi Code:InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.002976558

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