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:	99-04-7
	Name:	3-Methylbenzoic acid
	Description:
	Labels:	eval
	CAS:	99-04-7
	InChi Code:	InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.042957977	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)