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:35941-71-0
Name:Tiaramide hydrochloride
Description:
Labels:eval
CAS:35941-71-0
InChi Code:InChI=1S/C15H18ClN3O3S/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20/h1-2,9,20H,3-8,10H2

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

1

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)