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:111-65-9
Name:Octane
Description:
Labels:eval
CAS:111-65-9
InChi Code:InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.00282008

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