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:	596
	Name:	Fenvalerate
	Description:
	Labels:	Validation
	CAS:	51630-58-1
	InChi Code:	InChI=1/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4.4	experimental value
4.57	Eq1: Best externally predictive model (Validation set)
4.56	Eq2: Full model, including all data (Training set)
4.64	Tab2-9: Correlation with logKow (Validation set)
5.27	Tab2-10: Correlation with logSw (Validation set)
4.64	Tab2-11: logKow and aromaticity (Validation set)
5.22	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID3020621	US EPA CompTox Dashboard