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:	91-08-7
	Name:	Toluene-2,6-diisocyanate
	Description:
	Labels:	eval
	CAS:	91-08-7
	InChi Code:	InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.027789195	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)