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:32222-06-3
Name:Calcitriol
Description:
Labels:eval
CAS:32222-06-3
InChi Code:InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.059938938

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