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:13679-70-4
Name:5-Methyl-2-thiophenecarboxaldehyde
Description:
Labels:eval
CAS:13679-70-4
InChi Code:InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.020339148

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