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:	129
	Name:	malathion
	Description:
	Labels:	Validation
	CAS:	121-75-5
	InChi Code:	InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-0.42	experimental value
-1.088	Eq1: Full model (Training set)
-1.192	Eq2: Split model (Validation set)

Links to External Resources

Link	Resource description
DTXSID4020791	US EPA CompTox Dashboard