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:	1
	Name:	p,p'-DDT
	Description:
	Labels:	Validation
	CAS:	50-29-3
	InChi Code:	InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
3.85	experimental value
4.26	Eq1: Full model (Training set)
4.29	Eq2: Split model (Validation set)

Links to External Resources

Link	Resource description
DTXSID4020375	US EPA CompTox Dashboard