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:	619
	Name:	Fenoxaprop-Ethyl
	Description:
	Labels:	Validation
	CAS:	66441-23-4
	InChi Code:	InChI=1/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4	experimental value
3.84	Eq1: Best externally predictive model (Validation set)
3.58	Eq2: Full model, including all data (Training set)
3.64	Tab2-9: Correlation with logKow (Validation set)
3.81	Tab2-10: Correlation with logSw (Validation set)
3.72	Tab2-11: logKow and aromaticity (Validation set)
3.85	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID2032392	US EPA CompTox Dashboard