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:	633-03-4
	Name:	Brilliant Green
	Description:
	Labels:	eval
	CAS:	633-03-4
	InChi Code:	InChI=1S/C27H33N2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4/h9-21H,5-8H2,1-4H3/q+1

Properties

BindingClass: Activity in Androgen Receptor

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