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:14073-97-3
Name:(2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexanone
Description:
Labels:eval
CAS:14073-97-3
InChi Code:InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.015716806

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