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:	284
	Name:	Parathion methyl
	Description:
	Labels:	Validation
	CAS:	298-00-0
	InChi Code:	InChI=1/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3	experimental value
2.47	Eq1: Best externally predictive model (Validation set)
2.61	Eq2: Full model, including all data (Training set)
2.58	Tab2-9: Correlation with logKow (Validation set)
2.91	Tab2-10: Correlation with logSw (Validation set)
2.55	Tab2-11: logKow and aromaticity (Validation set)
2.87	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID1020855	US EPA CompTox Dashboard