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:	112665-43-7
	Name:	(+-)-7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid
	Description:
	Labels:	eval
	CAS:	112665-43-7
	InChi Code:	InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)

Properties

BindingClass: Activity in Androgen Receptor

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