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:	462
	Name:	Fensulfothion sulfide
	Description:
	Labels:	Validation
	CAS:	3070-15-3
	InChi Code:	InChI=1/C11H17O3PS2/c1-4-12-15(16,13-5-2)14-10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.2	experimental value
3.87	Eq1: Best externally predictive model (Validation set)
3.57	Eq2: Full model, including all data (Training set)
3.38	Tab2-9: Correlation with logKow (Validation set)
3.46	Tab2-10: Correlation with logSw (Validation set)
3.29	Tab2-11: logKow and aromaticity (Validation set)
3.38	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID7062827	US EPA CompTox Dashboard