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:110-54-3
Name:n-Hexane
Description:
Labels:eval
CAS:110-54-3
InChi Code:InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.002598374

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