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:	553
	Name:	Norflurazon
	Description:
	Labels:	Validation
	CAS:	27314-13-2
	InChi Code:	InChI=1/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.3	experimental value
2.25	Eq1: Best externally predictive model (Validation set)
2.42	Eq2: Full model, including all data (Training set)
2.23	Tab2-9: Correlation with logKow (Validation set)
2.94	Tab2-10: Correlation with logSw (Validation set)
2.15	Tab2-11: logKow and aromaticity (Validation set)
2.85	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID8024234	US EPA CompTox Dashboard