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:558-37-2
Name:3,3-Dimethyl-1-butene
Description:
Labels:eval
CAS:558-37-2
InChi Code:InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.003381721

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