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:	57-06-7
	Name:	Allyl isothiocyanate
	Description:
	Labels:	training
	CAS:	57-06-7
	InChi Code:	InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.004503003	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)