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:3105-97-3
Name:Hycanthone
Description:
Labels:eval
CAS:3105-97-3
InChi Code:InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)