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:137-00-8
Name:Thiamine thiozole
Description:
Labels:eval
CAS:137-00-8
InChi Code:InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value
0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)