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:	393
	Name:	Carbofuran
	Description:
	Labels:	Validation
	CAS:	1563-66-2
	InChi Code:	InChI=1/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)/f/h13H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.6	experimental value
2.32	Eq1: Best externally predictive model (Validation set)
2.39	Eq2: Full model, including all data (Training set)
2.25	Tab2-9: Correlation with logKow (Validation set)
2.4	Tab2-10: Correlation with logSw (Validation set)
2.22	Tab2-11: logKow and aromaticity (Validation set)
2.37	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID9020249	US EPA CompTox Dashboard