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:	123
	Name:	anthracene
	Description:
	Labels:	Validation
	CAS:	120-12-7
	InChi Code:	InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
2.1	experimental value
2.046	Eq1: Full model (Training set)
2.078	Eq2: Split model (Validation set)

Links to External Resources

Link	Resource description
DTXSID0023878	US EPA CompTox Dashboard