Gramatica, P.; Giani, E.; Papa, E. Statistical external validation and consensus modeling: A QSPR case study for Koc prediction. J. Mol. Graph. Model. 2007, 25, 6, 755–766.

Compound

	ID:	578
	Name:	Iprodione
	Description:
	Labels:	Validation
	CAS:	36734-19-7
	InChi Code:	InChI=1/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)/f/h16H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.2	experimental value
2.59	Eq1: Best externally predictive model (Validation set)
2.72	Eq2: Full model, including all data (Training set)
2.67	Tab2-9: Correlation with logKow (Validation set)
3.15	Tab2-10: Correlation with logSw (Validation set)
2.55	Tab2-11: logKow and aromaticity (Validation set)
3.04	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID3024154	US EPA CompTox Dashboard