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:313-06-4
Name:Estradiol cypionate
Description:
Labels:eval
CAS:313-06-4
InChi Code:InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value
0.605751543

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