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:108-22-5
Name:Isopropenyl acetate
Description:
Labels:eval
CAS:108-22-5
InChi Code:InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.00276695

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