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:41519-23-7
Name:(3Z)-Hex-3-en-1-yl 2-methylpropanoate
Description:
Labels:eval
CAS:41519-23-7
InChi Code:InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.001302405

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