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:	165
	Name:	3-chlorobiphenyl
	Description:	(PCB 3)
	Labels:	Validation
	CAS:	2051-61-8
	InChi Code:	InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
2.47	experimental value
1.933	Eq1: Full model (Training set)
1.929	Eq2: Split model (Validation set)

Links to External Resources

Link	Resource description
DTXSID1040299	US EPA CompTox Dashboard