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:105-87-3
Name:Geranyl acetate
Description:
Labels:training
CAS:105-87-3
InChi Code:InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.002467885

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