Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.

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: Activity in Androgen Receptor

Value	Source or prediction
0	experimental value
0	Procedure_13: Multivariate Logistic Regression Model (Training set)