10967/235 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.

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: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)