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:1081-34-1
Name:alpha-Terthiophene
Description:
Labels:eval
CAS:1081-34-1
InChi Code:InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.0685211

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