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_47333
Name:PharmaGSID_47333
Description:
Labels:training
CAS:
InChi Code:InChI=1S/C22H30N4O2/c1-16-24-14-19(15-25-16)18(13-21(27)28)7-4-2-3-5-9-20-11-10-17-8-6-12-23-22(17)26-20/h10-11,14-15,18H,2-9,12-13H2,1H3,(H,23,26)(H,27,28)/t18-/m0/s1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.095915421

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