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:NOCAS_47342
Name:SR125047
Description:
Labels:training
CAS:
InChi Code:InChI=1S/C22H26ClNO/c1-25-20-10-6-9-19(17-20)21-12-11-18(16-22(21)23)8-7-15-24-13-4-2-3-5-14-24/h6-12,16-17H,2-5,13-15H2,1H3/b8-7-

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.255261431

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