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:	524
	Name:	Chlorfenvinphos(trans)
	Description:
	Labels:	Validation
	CAS:	18708-86-6
	InChi Code:	InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.5	experimental value
3.01	Eq1: Best externally predictive model (Validation set)
3.09	Eq2: Full model, including all data (Training set)
2.73	Tab2-9: Correlation with logKow (Validation set)
2.63	Tab2-10: Correlation with logSw (Validation set)
2.63	Tab2-11: logKow and aromaticity (Validation set)
2.56	Tab2-12: logSw and aromaticity (Validation set)