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:56-95-1
Name:Chlorhexidine diacetate
Description:
Labels:training
CAS:56-95-1
InChi Code:InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value
0.153651925

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