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:828-26-2
Name:Trithioacetone
Description:
Labels:eval
CAS:828-26-2
InChi Code:InChI=1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value
0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)