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:	388
	Name:	Dichlobenil
	Description:
	Labels:	Validation
	CAS:	1194-65-6
	InChi Code:	InChI=1/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.4	experimental value
2.59	Eq1: Best externally predictive model (Validation set)
2.69	Eq2: Full model, including all data (Training set)
2.51	Tab2-9: Correlation with logKow (Validation set)
3.05	Tab2-10: Correlation with logSw (Validation set)
2.66	Tab2-11: logKow and aromaticity (Validation set)
3.13	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID5032365	US EPA CompTox Dashboard