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:	126-30-7
	Name:	2,2-Dimethylpropane-1,3-diol
	Description:
	Labels:	training
	CAS:	126-30-7
	InChi Code:	InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.006099391	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)