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:	1434-54-4
	Name:	Pregnenolone carbonitrile
	Description:
	Labels:	training
	CAS:	1434-54-4
	InChi Code:	InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1

Properties

BindingClass: Activity in Androgen Receptor

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