Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.

Compound

	ID:	85-68-7
	Name:	Butyl benzyl phthalate
	Description:
	Labels:	training
	CAS:	85-68-7
	InChi Code:	InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.044607128	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)