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:	288
	Name:	Oxydemeton-Methyl
	Description:
	Labels:	Validation
	CAS:	301-12-2
	InChi Code:	InChI=1/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.1	experimental value
1.06	Eq1: Best externally predictive model (Validation set)
1.8	Eq2: Full model, including all data (Training set)
0.35	Tab2-9: Correlation with logKow (Validation set)
0.47	Tab2-10: Correlation with logSw (Validation set)
0.16	Tab2-11: logKow and aromaticity (Validation set)
0.34	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID8025541	US EPA CompTox Dashboard