Gramatica, P.; Chirico, N.; Papa, E.; Cassani, S.; Kovarich, S. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. Journal of Computational Chemistry 2013, 34, 2121–2132.

Compound

	ID:	77
	Name:	methoxybenzene
	Description:
	Labels:	Validation
	CAS:	100-66-3
	InChi Code:	InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-0.23	experimental value
-0.225	Eq1: Full model (Training set)
-0.227	Eq2: Split model (Validation set)

Links to External Resources

Link	Resource description
DTXSID4041608	US EPA CompTox Dashboard