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:	123-42-2
	Name:	Diacetone alcohol
	Description:
	Labels:	training
	CAS:	123-42-2
	InChi Code:	InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.004034267	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)