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:28434-00-6
Name:S-Bioallethrin
Description:
Labels:training
CAS:28434-00-6
InChi Code:InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16+,17+/m1/s1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.197690198

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