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:860-22-0
Name:C.I. Acid Blue 74
Description:
Labels:training
CAS:860-22-0
InChi Code:InChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-18H,(H,21,22,23)(H,24,25,26)/b14-13+

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.12444319

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