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:2050-99-9
Name:2,8-Dimethylnonan-5-one
Description:
Labels:eval
CAS:2050-99-9
InChi Code:InChI=1S/C11H22O/c1-9(2)5-7-11(12)8-6-10(3)4/h9-10H,5-8H2,1-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.000947584

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