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:	528
	Name:	Metoxuron
	Description:
	Labels:	Validation
	CAS:	19937-59-8
	InChi Code:	InChI=1/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)/f/h12H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.7	experimental value
2.13	Eq1: Best externally predictive model (Validation set)
2.23	Eq2: Full model, including all data (Training set)
1.83	Tab2-9: Correlation with logKow (Validation set)
2.22	Tab2-10: Correlation with logSw (Validation set)
1.86	Tab2-11: logKow and aromaticity (Validation set)
2.23	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID1042158	US EPA CompTox Dashboard