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:	527
	Name:	Oxadiazon
	Description:
	Labels:	Validation
	CAS:	19666-30-9
	InChi Code:	InChI=1/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.5	experimental value
3.09	Eq1: Best externally predictive model (Validation set)
3.16	Eq2: Full model, including all data (Training set)
3.78	Tab2-9: Correlation with logKow (Validation set)
3.86	Tab2-10: Correlation with logSw (Validation set)
3.59	Tab2-11: logKow and aromaticity (Validation set)
3.71	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID3024239	US EPA CompTox Dashboard