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:	17
	Name:	hexachloroethane
	Description:
	Labels:	Validation
	CAS:	67-72-1
	InChi Code:	InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8

Properties

PBT_Index: PBT Index i

Value	Source or prediction
2.32	experimental value
2.318	Eq1: Full model (Training set)
2.387	Eq2: Split model (Validation set)

Links to External Resources

Link	Resource description
DTXSID7020689	US EPA CompTox Dashboard