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:55028-72-3
Name:Cloprostenol sodium
Description:
Labels:eval
CAS:55028-72-3
InChi Code:InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.287325616

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