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:	5508-58-7
	Name:	Andrographolide
	Description:
	Labels:	eval
	CAS:	5508-58-7
	InChi Code:	InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3

Properties

BindingClass: Activity in Androgen Receptor

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