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:	213
	Name:	Fensulfothion
	Description:
	Labels:	Validation
	CAS:	115-90-2
	InChi Code:	InChI=1/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.5	experimental value
2.8	Eq1: Best externally predictive model (Validation set)
2.87	Eq2: Full model, including all data (Training set)
2.19	Tab2-9: Correlation with logKow (Validation set)
1.96	Tab2-10: Correlation with logSw (Validation set)
2.15	Tab2-11: logKow and aromaticity (Validation set)
1.95	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID6021953	US EPA CompTox Dashboard