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:	516
	Name:	Napropamide
	Description:
	Labels:	Validation
	CAS:	15299-99-7
	InChi Code:	InChI=1/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.7	experimental value
3.13	Eq1: Best externally predictive model (Validation set)
3.14	Eq2: Full model, including all data (Training set)
2.89	Tab2-9: Correlation with logKow (Validation set)
2.75	Tab2-10: Correlation with logSw (Validation set)
2.96	Tab2-11: logKow and aromaticity (Validation set)
2.81	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID5024211	US EPA CompTox Dashboard