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:	623
	Name:	Fluazifop-butyl
	Description:
	Labels:	Validation
	CAS:	69806-50-4
	InChi Code:	InChI=1/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.8	experimental value
3.1	Eq1: Best externally predictive model (Validation set)
3.23	Eq2: Full model, including all data (Training set)
3.59	Tab2-9: Correlation with logKow (Validation set)
3.62	Tab2-10: Correlation with logSw (Validation set)
3.55	Tab2-11: logKow and aromaticity (Validation set)
3.57	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID3034612	US EPA CompTox Dashboard