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:	123-18-2
	Name:	2,6,8-Trimethyl-4-nonanone
	Description:
	Labels:	eval
	CAS:	123-18-2
	InChi Code:	InChI=1S/C12H24O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-11H,6-8H2,1-5H3

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.001395305	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)