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:	93-60-7
	Name:	Methyl nicotinate
	Description:
	Labels:	eval
	CAS:	93-60-7
	InChi Code:	InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.035333274	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)