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:505-79-3
Name:3-(Methylthio)propyl isothiocyanate
Description:
Labels:eval
CAS:505-79-3
InChi Code:InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.005607923

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