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:972-02-1
Name:Diphenidol
Description:
Labels:eval
CAS:972-02-1
InChi Code:InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.097964749

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