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:	378
	Name:	Methidathion
	Description:
	Labels:	Validation
	CAS:	950-37-8
	InChi Code:	InChI=1/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2	experimental value
1.86	Eq1: Best externally predictive model (Validation set)
2.04	Eq2: Full model, including all data (Training set)
2.31	Tab2-9: Correlation with logKow (Validation set)
2.53	Tab2-10: Correlation with logSw (Validation set)
2	Tab2-11: logKow and aromaticity (Validation set)
2.29	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID5020819	US EPA CompTox Dashboard