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:2935-90-2
Name:Methyl 3-sulfanylpropanoate
Description:
Labels:eval
CAS:2935-90-2
InChi Code:InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.003801325

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