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:5630-53-5
Name:Tibolone
Description:
Labels:eval
CAS:5630-53-5
InChi Code:InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.147413052

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