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:2396-68-1
Name:4-tert-Butylbenzenethiol
Description:
Labels:training
CAS:2396-68-1
InChi Code:InChI=1S/C10H14S/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.051126528

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