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:111-17-1
Name:Bis(2-carboxyethyl) sulfide
Description:
Labels:eval
CAS:111-17-1
InChi Code:InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)