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:	96-29-7
	Name:	2-Butanone oxime
	Description:
	Labels:	training
	CAS:	96-29-7
	InChi Code:	InChI=1S/C4H9NO/c1-3-4(2)5-6/h4H,3H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.00380313	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)