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:	57-91-0
	Name:	17alpha-Estradiol
	Description:
	Labels:	training
	CAS:	57-91-0
	InChi Code:	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1

Properties

BindingClass: Activity in Androgen Receptor

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