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:	539
	Name:	Oxamyl
	Description:
	Labels:	Training
	CAS:	23135-22-0
	InChi Code:	InChI=1/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-/f/h8H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1	experimental value
1.25	Eq1: Best externally predictive model (Training set)
1.41	Eq2: Full model, including all data (Training set)
0.5	Tab2-9: Correlation with logKow (Training set)
0.77	Tab2-10: Correlation with logSw (Training set)
0.27	Tab2-11: logKow and aromaticity (Training set)
0.61	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID6021086	US EPA CompTox Dashboard