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:DB06412
Name:DB06412
Description:
Labels:training
CAS:
InChi Code:InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.759157865

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