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:17372-87-1
Name:Eosin
Description:
Labels:training
CAS:17372-87-1
InChi Code:InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value
0.27319174

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