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:33704-61-9
Name:Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone
Description:
Labels:eval
CAS:33704-61-9
InChi Code:InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.044356818

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