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:	286
	Name:	Disulfoton
	Description:
	Labels:	Validation
	CAS:	298-04-4
	InChi Code:	InChI=1/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.1	experimental value
3.11	Eq1: Best externally predictive model (Validation set)
3.13	Eq2: Full model, including all data (Training set)
3.3	Tab2-9: Correlation with logKow (Validation set)
3.11	Tab2-10: Correlation with logSw (Validation set)
2.93	Tab2-11: logKow and aromaticity (Validation set)
2.85	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID0022018	US EPA CompTox Dashboard