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:31375-17-4
Name:1-(5-Isopropyl-2-methyl-cyclohex-2-enyl)-propan-1-one
Description:
Labels:eval
CAS:31375-17-4
InChi Code:InChI=1S/C13H22O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6,9,11-12H,5,7-8H2,1-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.028753711

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