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:DB00687
Name:DB00687
Description:
Labels:training
CAS:
InChi Code:InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value
0.878943083

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