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:	NOCAS_47248
	Name:	CI-1018
	Description:
	Labels:	training
	CAS:
	InChi Code:	InChI=1S/C24H20N4O2/c1-15-13-18-9-12-28-21(18)19(14-15)20(16-5-3-2-4-6-16)26-22(24(28)30)27-23(29)17-7-10-25-11-8-17/h2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29)/t22-/m0/s1

Properties

BindingClass: Activity in Androgen Receptor

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