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:18031-40-8
Name:(S)-4-Isopropenyl-1-cyclohexene-1-carboxaldehyde
Description:
Labels:eval
CAS:18031-40-8
InChi Code:InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.017844355

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