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:	83-75-0
	Name:	Quinine ethyl carbonate
	Description:
	Labels:	eval
	CAS:	83-75-0
	InChi Code:	InChI=1S/C23H28N2O4/c1-4-15-14-25-11-9-16(15)12-21(25)22(29-23(26)28-5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21-22H,1,5,9,11-12,14H2,2-3H3

Properties

BindingClass: Activity in Androgen Receptor

Value	Source or prediction
1	experimental value
0	Procedure_13: Multivariate Logistic Regression Model (Evaluation set)