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_47362
Name:SSR150106
Description:
Labels:training
CAS:
InChi Code:InChI=1S/C17H17NO3/c1-2-20-16(19)17(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)21-17/h3-11,15H,2,18H2,1H3/t15-,17+/m0/s1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.146136498

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